# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_ph14010_0m
_database_code_depnum_ccdc_archive 'CCDC 1034250'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-04-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C54 H58 N3 P2 Rh'
_chemical_formula_sum            'C54 H58 N3 P2 Rh'
_chemical_formula_weight         913.88
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.580(3)
_cell_length_b                   21.768(6)
_cell_length_c                   17.290(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.548(4)
_cell_angle_gamma                90
_cell_volume                     4754(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.910
_cell_measurement_theta_min      2.257
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0884 before and 0.0720 after correction.
The Ratio of minimum to maximum transmission is 0.8855.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'dark orange'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59111
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.574
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7766
_reflns_number_total             9342
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.458
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         9342
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0222P)²+5.5056P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0823
_refine_special_details          
'Part of the coordinated cyclooctane molecule is disordered and was refined over two positions with occupation factor ratio of 76:24. Furthermore, one p-isopropyl phenyl group can be refined to to different positions with occupation ratio of 56:44.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C53A, C53B}
{C56A, C56B}
{C38A, C38B}
3. Uiso/Uaniso restraints and constraints
C38A \\sim C43B \\sim C42B \\sim C41B \\sim C40B \\sim C39B: within 2A with
sigma of 0.003 and sigma for terminal atoms of 0.006
Uanis(C45A) \\sim Ueq, Uanis(C46B) \\sim Ueq, Uanis(C45B) \\sim Ueq,
Uanis(C46A) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C7) \\sim Ueq: with
sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of
0.004 and sigma for terminal atoms of 0.008
Uanis(C53A) \\sim Ueq, Uanis(C53B) \\sim Ueq, Uanis(C56A) \\sim Ueq,
Uanis(C56B) \\sim Ueq, Uanis(C55A) \\sim Ueq, Uanis(C55B) \\sim Ueq,
Uanis(C54B) \\sim Ueq, Uanis(C54A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C25) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.004
Uanis(C53A) = Uanis(C53B)
Uanis(C56A) = Uanis(C56B)
Uanis(C38A) = Uanis(C38B)
4. Others
 Sof(H57C)=Sof(H57D)=Sof(H52C)=Sof(H52D)=Sof(C55B)=Sof(H55C)=Sof(H55D)=
 Sof(C54B)=Sof(H54C)=Sof(H54D)=Sof(C53B)=Sof(H53C)=Sof(H53D)=Sof(C56B)=
 Sof(H56C)=Sof(H56D)=1-FVAR(1)
 Sof(H57A)=Sof(H57B)=Sof(C56A)=Sof(H56A)=Sof(H56B)=Sof(H52A)=Sof(H52B)=
 Sof(C53A)=Sof(H53A)=Sof(H53B)=Sof(C54A)=Sof(H54A)=Sof(H54B)=Sof(C55A)=
 Sof(H55A)=Sof(H55B)=FVAR(1)
 Sof(C43B)=Sof(H43B)=Sof(C44B)=Sof(H44B)=Sof(C41B)=Sof(C42B)=Sof(H42B)=
 Sof(C40B)=Sof(H40B)=Sof(C38B)=Sof(C39B)=Sof(H39B)=Sof(C46B)=Sof(H46D)=
 Sof(H46E)=Sof(H46F)=Sof(C45B)=Sof(H45D)=Sof(H45E)=Sof(H45F)=1-FVAR(2)
 Sof(C39A)=Sof(H39A)=Sof(C41A)=Sof(C38A)=Sof(C40A)=Sof(H40A)=Sof(C42A)=
 Sof(H42A)=Sof(C45A)=Sof(H45A)=Sof(H45B)=Sof(H45C)=Sof(C44A)=Sof(H44A)=
 Sof(C46A)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C43A)=Sof(H43A)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C51(H51), C50(H50), C23(H23), C44A(H44A), C44B(H44B)
5.b Secondary CH2 refined with riding coordinates:
 C57(H57A,H57B), C57(H57C,H57D), C56A(H56A,H56B), C52(H52A,H52B), C52(H52C,
 H52D), C53A(H53A,H53B), C54A(H54A,H54B), C55A(H55A,H55B), C55B(H55C,H55D),
 C54B(H54C,H54D), C53B(H53C,H53D), C56B(H56C,H56D)
5.c Aromatic/amide H refined with riding coordinates:
 C22(H22), C19(H19), C37(H37), C16(H16), C12(H12), C15(H15), C3(H3), C13(H13),
 C2(H2), C21(H21), C30(H30), C39A(H39A), C27(H27), C33(H33), C36(H36), C6(H6),
 C8(H8), C14(H14), C9(H9), C18(H18), C10(H10), C28(H28), C31(H31), C35(H35),
 C43B(H43B), C29(H29), C40A(H40A), C42A(H42A), C34(H34), C7(H7), C42B(H42B),
 C40B(H40B), C39B(H39B), C43A(H43A)
5.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C45A(H45A,H45B,H45C), C46A(H46A,
 H46B,H46C), C46B(H46D,H46E,H46F), C45B(H45D,H45E,H45F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.03645(2) 0.15177(2) 0.75382(2) 0.01781(6) Uani 1 1 d . . . . .
P2 P 0.25254(5) 0.20802(3) 0.75996(4) 0.01994(14) Uani 1 1 d . . . . .
N3 N 0.18570(15) 0.14519(9) 0.73825(13) 0.0228(4) Uani 1 1 d . . . . .
C4 C 0.15814(18) 0.26686(11) 0.74995(15) 0.0203(5) Uani 1 1 d . . . . .
C17 C -0.18221(18) 0.15393(11) 0.78206(16) 0.0234(5) Uani 1 1 d . . . . .
C1 C -0.00179(18) 0.28816(11) 0.74472(15) 0.0211(5) Uani 1 1 d . . . . .
C22 C -0.1736(2) 0.14795(13) 0.86404(17) 0.0306(6) Uani 1 1 d . . . . .
H22 H -0.1178 0.1683 0.9066 0.037 Uiso 1 1 calc R . . . .
C19 C -0.3357(2) 0.08807(14) 0.74357(19) 0.0406(7) Uani 1 1 d . . . . .
H19 H -0.3915 0.0676 0.7011 0.049 Uiso 1 1 calc R . . . .
C5 C -0.1617(2) 0.30120(12) 0.81957(16) 0.0261(6) Uani 1 1 d . . . . .
C11 C -0.22788(18) 0.27758(12) 0.64349(16) 0.0233(5) Uani 1 1 d . . . . .
C37 C 0.2800(2) 0.26021(14) 0.62362(18) 0.0363(7) Uani 1 1 d . . . . .
H37 H 0.2099 0.2753 0.6099 0.044 Uiso 1 1 calc R . . . .
C16 C -0.2409(2) 0.23664(13) 0.57860(17) 0.0317(6) Uani 1 1 d . . . . .
H16 H -0.2014 0.1995 0.5889 0.038 Uiso 1 1 calc R . . . .
C32 C 0.32654(19) 0.22555(12) 0.69493(16) 0.0251(5) Uani 1 1 d . . . . .
C12 C -0.2857(2) 0.33187(12) 0.62728(17) 0.0296(6) Uani 1 1 d . . . . .
H12 H -0.2777 0.3601 0.6710 0.036 Uiso 1 1 calc R . . . .
C20 C -0.32720(19) 0.08204(13) 0.82539(19) 0.0348(7) Uani 1 1 d . . . . .
C15 C -0.3112(2) 0.24990(14) 0.49908(17) 0.0373(7) Uani 1 1 d . . . . .
H15 H -0.3207 0.2215 0.4552 0.045 Uiso 1 1 calc R . . . .
C51 C 0.03140(19) 0.07094(11) 0.81973(16) 0.0254(5) Uani 1 1 d . . . . .
H51 H -0.0182 0.0746 0.8503 0.030 Uiso 1 1 calc R . . . .
C3 C 0.1504(2) 0.33054(12) 0.74984(17) 0.0280(6) Uani 1 1 d . . . . .
H3 H 0.2041 0.3592 0.7521 0.034 Uiso 1 1 calc R . . . .
C13 C -0.3552(2) 0.34485(14) 0.54730(19) 0.0375(7) Uani 1 1 d . . . . .
H13 H -0.3945 0.3821 0.5365 0.045 Uiso 1 1 calc R . . . .
C2 C 0.0476(2) 0.34401(12) 0.74567(17) 0.0292(6) Uani 1 1 d . . . . .
H2 H 0.0177 0.3837 0.7438 0.035 Uiso 1 1 calc R . . . .
C50 C -0.02155(19) 0.05890(11) 0.73507(16) 0.0256(6) Uani 1 1 d . . . . .
H50 H -0.1000 0.0573 0.7200 0.031 Uiso 1 1 calc R . . . .
C21 C -0.2449(2) 0.11279(14) 0.88493(19) 0.0358(7) Uani 1 1 d . . . . .
H21 H -0.2371 0.1097 0.9417 0.043 Uiso 1 1 calc R . . . .
C30 C 0.4831(3) 0.26345(18) 0.9758(2) 0.0570(9) Uani 1 1 d . U . . .
H30 H 0.5313 0.2967 0.9945 0.068 Uiso 1 1 calc R . . . .
C39A C 0.1338(5) 0.0964(4) 0.6025(6) 0.0234(15) Uani 0.558(9) 1 d . . P A 3
H39A H 0.0746 0.1232 0.5839 0.028 Uiso 0.558(9) 1 calc R . P A 3
C57 C 0.0149(2) 0.01214(12) 0.68734(18) 0.0320(6) Uani 1 1 d . . . . .
H57A H 0.0932 0.0125 0.7080 0.038 Uiso 0.762(8) 1 calc R . P B 1
H57B H -0.0116 0.0241 0.6280 0.038 Uiso 0.762(8) 1 calc R . P B 1
H57C H 0.0932 0.0125 0.7080 0.038 Uiso 0.238(8) 1 calc R . P B 2
H57D H -0.0116 0.0241 0.6280 0.038 Uiso 0.238(8) 1 calc R . P B 2
C56A C -0.0227(3) -0.05342(14) 0.6945(2) 0.0452(8) Uani 0.762(8) 1 d . U P B 1
H56A H -0.0205 -0.0779 0.6469 0.054 Uiso 0.762(8) 1 calc R . P B 1
H56B H -0.0974 -0.0517 0.6903 0.054 Uiso 0.762(8) 1 calc R . P B 1
C26 C 0.34711(18) 0.21095(12) 0.86558(16) 0.0260(6) Uani 1 1 d . . . . .
C52 C 0.1329(2) 0.03920(13) 0.87037(18) 0.0333(6) Uani 1 1 d . . . . .
H52A H 0.1766 0.0671 0.9150 0.040 Uiso 0.762(8) 1 calc R . P B 1
H52B H 0.1732 0.0297 0.8344 0.040 Uiso 0.762(8) 1 calc R . P B 1
H52C H 0.1766 0.0671 0.9150 0.040 Uiso 0.238(8) 1 calc R . P B 2
H52D H 0.1732 0.0297 0.8344 0.040 Uiso 0.238(8) 1 calc R . P B 2
C41A C 0.2330(6) 0.0142(3) 0.5739(5) 0.0275(15) Uani 0.558(9) 1 d . . P A 3
C27 C 0.3469(2) 0.16542(15) 0.92009(17) 0.0384(7) Uani 1 1 d . . . . .
H27 H 0.3012 0.1310 0.9015 0.046 Uiso 1 1 calc R . . . .
C33 C 0.4287(2) 0.20323(14) 0.7138(2) 0.0372(7) Uani 1 1 d . . . . .
H33 H 0.4615 0.1790 0.7622 0.045 Uiso 1 1 calc R . . . .
C36 C 0.3352(3) 0.27295(17) 0.5723(2) 0.0517(9) Uani 1 1 d . U . . .
H36 H 0.3029 0.2967 0.5234 0.062 Uiso 1 1 calc R . . . .
C6 C -0.0862(2) 0.33425(14) 0.88236(18) 0.0383(7) Uani 1 1 d . . . . .
H6 H -0.0161 0.3377 0.8832 0.046 Uiso 1 1 calc R . . . .
C8 C -0.2135(3) 0.35632(17) 0.9441(2) 0.0540(9) Uani 1 1 d . U . . .
H8 H -0.2314 0.3751 0.9868 0.065 Uiso 1 1 calc R . . . .
C14 C -0.3675(2) 0.30422(15) 0.48365(18) 0.0378(7) Uani 1 1 d . . . . .
H14 H -0.4148 0.3135 0.4289 0.045 Uiso 1 1 calc R . . . .
C9 C -0.2882(3) 0.32333(16) 0.8829(2) 0.0454(8) Uani 1 1 d . U . . .
H9 H -0.3577 0.3194 0.8834 0.055 Uiso 1 1 calc R . . . .
C18 C -0.2646(2) 0.12325(13) 0.72200(18) 0.0329(6) Uani 1 1 d . . . . .
H18 H -0.2725 0.1264 0.6652 0.039 Uiso 1 1 calc R . . . .
C10 C -0.2637(2) 0.29573(14) 0.82040(19) 0.0363(7) Uani 1 1 d . . . . .
H10 H -0.3161 0.2731 0.7781 0.044 Uiso 1 1 calc R . . . .
C28 C 0.4143(3) 0.16992(18) 1.0031(2) 0.0510(9) Uani 1 1 d . U . . .
H28 H 0.4140 0.1385 1.0411 0.061 Uiso 1 1 calc R . . . .
C31 C 0.4153(2) 0.26035(16) 0.8926(2) 0.0477(8) Uani 1 1 d . . . . .
H31 H 0.4159 0.2919 0.8549 0.057 Uiso 1 1 calc R . . . .
C23 C -0.4025(2) 0.04076(16) 0.8479(2) 0.0510(8) Uani 1 1 d . U . . .
H23 H -0.4692 0.0377 0.7978 0.061 Uiso 1 1 calc R . . . .
C35 C 0.4360(3) 0.25143(16) 0.5916(2) 0.0507(9) Uani 1 1 d . U . . .
H35 H 0.4738 0.2607 0.5564 0.061 Uiso 1 1 calc R . . . .
C38A C 0.21088(18) 0.10055(11) 0.68905(16) 0.0232(5) Uani 0.558(9) 1 d . . P A
3
C43B C 0.2979(10) 0.0583(6) 0.7367(7) 0.0263(14) Uani 0.442(9) 1 d . . P A 4
H43B H 0.3370 0.0646 0.7943 0.032 Uiso 0.442(9) 1 calc R . P A 4
C29 C 0.4803(2) 0.21876(18) 1.0301(2) 0.0484(8) Uani 1 1 d . U . . .
H29 H 0.5248 0.2218 1.0871 0.058 Uiso 1 1 calc R . . . .
C40A C 0.1478(6) 0.0543(3) 0.5502(4) 0.0242(14) Uani 0.558(9) 1 d . . P A 3
H40A H 0.0973 0.0521 0.4950 0.029 Uiso 0.558(9) 1 calc R . P A 3
C53A C 0.1122(3) -0.02069(15) 0.9094(2) 0.0476(8) Uani 0.762(8) 1 d . U P B 1
H53A H 0.1795 -0.0440 0.9312 0.057 Uiso 0.762(8) 1 calc R . P B 1
H53B H 0.0929 -0.0096 0.9575 0.057 Uiso 0.762(8) 1 calc R . P B 1
C54A C 0.0262(4) -0.0637(2) 0.8528(3) 0.0462(14) Uani 0.762(8) 1 d . U P B 1
H54A H 0.0207 -0.0998 0.8860 0.055 Uiso 0.762(8) 1 calc R . P B 1
H54B H -0.0425 -0.0419 0.8349 0.055 Uiso 0.762(8) 1 calc R . P B 1
C55A C 0.0435(4) -0.08667(19) 0.7760(3) 0.0466(14) Uani 0.762(8) 1 d . U P B 1
H55A H 0.0265 -0.1310 0.7694 0.056 Uiso 0.762(8) 1 calc R . P B 1
H55B H 0.1194 -0.0821 0.7849 0.056 Uiso 0.762(8) 1 calc R . P B 1
C42A C 0.3060(5) 0.0188(3) 0.6545(6) 0.0366(17) Uani 0.558(9) 1 d . . P A 3
H42A H 0.3657 -0.0078 0.6724 0.044 Uiso 0.558(9) 1 calc R . P A 3
P1 P -0.12542(5) 0.26033(3) 0.74348(4) 0.02067(14) Uani 1 1 d . . . . .
C34 C 0.4825(2) 0.21672(16) 0.6613(2) 0.0473(8) Uani 1 1 d . U . . .
H34 H 0.5524 0.2016 0.6740 0.057 Uiso 1 1 calc R . . . .
C7 C -0.1132(3) 0.36228(17) 0.9440(2) 0.0538(9) Uani 1 1 d . U . . .
H7 H -0.0619 0.3857 0.9861 0.065 Uiso 1 1 calc R . . . .
C24 C -0.4319(3) 0.0651(2) 0.9185(3) 0.0778(13) Uani 1 1 d . U . . .
H24A H -0.3703 0.0629 0.9706 0.117 Uiso 1 1 calc GR . . . .
H24B H -0.4896 0.0403 0.9234 0.117 Uiso 1 1 calc GR . . . .
H24C H -0.4551 0.1079 0.9072 0.117 Uiso 1 1 calc GR . . . .
C25 C -0.3557(4) -0.02342(19) 0.8667(3) 0.0857(14) Uani 1 1 d . U . . .
H25A H -0.3374 -0.0379 0.8200 0.129 Uiso 1 1 calc GR . . . .
H25B H -0.4077 -0.0513 0.8748 0.129 Uiso 1 1 calc GR . . . .
H25C H -0.2919 -0.0224 0.9173 0.129 Uiso 1 1 calc GR . . . .
C45A C 0.1874(13) -0.0909(8) 0.5172(10) 0.089(5) Uani 0.558(9) 1 d . U P A 3
H45A H 0.2311 -0.1144 0.5661 0.133 Uiso 0.558(9) 1 calc GR . P A 3
H45B H 0.1760 -0.1151 0.4669 0.133 Uiso 0.558(9) 1 calc GR . P A 3
H45C H 0.1189 -0.0815 0.5215 0.133 Uiso 0.558(9) 1 calc GR . P A 3
C44A C 0.2399(5) -0.0350(3) 0.5130(4) 0.045(2) Uani 0.558(9) 1 d . . P A 3
H44A H 0.2059 -0.0182 0.4554 0.054 Uiso 0.558(9) 1 calc R . P A 3
C46A C 0.3532(9) -0.0528(6) 0.5256(8) 0.077(3) Uani 0.558(9) 1 d . U P A 3
H46A H 0.3914 -0.0165 0.5181 0.116 Uiso 0.558(9) 1 calc GR . P A 3
H46B H 0.3525 -0.0843 0.4848 0.116 Uiso 0.558(9) 1 calc GR . P A 3
H46C H 0.3884 -0.0691 0.5819 0.116 Uiso 0.558(9) 1 calc GR . P A 3
C55B C -0.0251(12) -0.0717(6) 0.7842(9) 0.040(4) Uani 0.238(8) 1 d . U P B 2
H55C H -0.0676 -0.0414 0.8014 0.048 Uiso 0.238(8) 1 calc R . P B 2
H55D H -0.0577 -0.1127 0.7815 0.048 Uiso 0.238(8) 1 calc R . P B 2
C54B C 0.0905(16) -0.0724(8) 0.8478(11) 0.060(5) Uani 0.238(8) 1 d . U P B 2
H54C H 0.1043 -0.1120 0.8781 0.072 Uiso 0.238(8) 1 calc R . P B 2
H54D H 0.1397 -0.0692 0.8176 0.072 Uiso 0.238(8) 1 calc R . P B 2
C53B C 0.1122(3) -0.02069(15) 0.9094(2) 0.0476(8) Uani 0.238(8) 1 d . U P B 2
H53C H 0.1747 -0.0308 0.9596 0.057 Uiso 0.238(8) 1 calc R . P B 2
H53D H 0.0508 -0.0151 0.9265 0.057 Uiso 0.238(8) 1 calc R . P B 2
C56B C -0.0227(3) -0.05342(14) 0.6945(2) 0.0452(8) Uani 0.238(8) 1 d . U P B 2
H56C H 0.0242 -0.0827 0.6806 0.054 Uiso 0.238(8) 1 calc R . P B 2
H56D H -0.0949 -0.0586 0.6523 0.054 Uiso 0.238(8) 1 calc R . P B 2
N1 N 0.06502(15) 0.24137(9) 0.74630(12) 0.0200(4) Uani 1 1 d . . . . .
N2 N -0.10539(15) 0.18803(9) 0.76140(13) 0.0226(4) Uani 1 1 d . . . . .
C44B C 0.2868(8) -0.0572(4) 0.5672(6) 0.056(3) Uani 0.442(9) 1 d . . P A 4
H44B H 0.3435 -0.0823 0.6088 0.067 Uiso 0.442(9) 1 calc R . P A 4
C41B C 0.2663(8) 0.0000(4) 0.6109(8) 0.0299(14) Uani 0.442(9) 1 d . . P A 4
C42B C 0.3203(6) 0.0091(4) 0.6946(6) 0.0299(14) Uani 0.442(9) 1 d . . P A 4
H42B H 0.3744 -0.0191 0.7245 0.036 Uiso 0.442(9) 1 calc R . P A 4
C40B C 0.1875(9) 0.0404(4) 0.5674(6) 0.0280(14) Uani 0.442(9) 1 d . . P A 4
H40B H 0.1489 0.0346 0.5097 0.034 Uiso 0.442(9) 1 calc R . P A 4
C38B C 0.21088(18) 0.10055(11) 0.68905(16) 0.0232(5) Uani 0.442(9) 1 d . . P A
4
C39B C 0.1647(8) 0.0915(6) 0.6108(9) 0.0269(15) Uani 0.442(9) 1 d . . P A 4
H39B H 0.1124 0.1201 0.5796 0.032 Uiso 0.442(9) 1 calc R . P A 4
C43A C 0.2928(7) 0.0621(5) 0.7098(4) 0.033(2) Uani 0.558(9) 1 d . . P A 3
H43A H 0.3445 0.0642 0.7646 0.040 Uiso 0.558(9) 1 calc R . P A 3
C46B C 0.3230(14) -0.0401(8) 0.4975(10) 0.086(5) Uani 0.442(9) 1 d . U P A 4
H46D H 0.2685 -0.0151 0.4566 0.129 Uiso 0.442(9) 1 calc GR . P A 4
H46E H 0.3351 -0.0775 0.4706 0.129 Uiso 0.442(9) 1 calc GR . P A 4
H46F H 0.3890 -0.0166 0.5199 0.129 Uiso 0.442(9) 1 calc GR . P A 4
C45B C 0.1744(11) -0.0965(8) 0.5374(10) 0.049(3) Uani 0.442(9) 1 d . U P A 4
H45D H 0.1598 -0.1093 0.5865 0.074 Uiso 0.442(9) 1 calc GR . P A 4
H45E H 0.1806 -0.1330 0.5062 0.074 Uiso 0.442(9) 1 calc GR . P A 4
H45F H 0.1165 -0.0706 0.5019 0.074 Uiso 0.442(9) 1 calc GR . P A 4


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N3 2.145(2) . ?
Rh1 C51 2.111(2) . ?
Rh1 C50 2.151(2) . ?
Rh1 N1 2.002(2) . ?
Rh1 N2 2.130(2) . ?
P2 N3 1.608(2) . ?
P2 C4 1.775(2) . ?
P2 C32 1.803(3) . ?
P2 C26 1.807(3) . ?
N3 C38A 1.414(3) . ?
C4 C3 1.390(4) . ?
C4 N1 1.361(3) . ?
C17 C22 1.385(4) . ?
C17 C18 1.387(4) . ?
C17 N2 1.428(3) . ?
C1 C2 1.386(4) . ?
C1 P1 1.778(2) . ?
C1 N1 1.358(3) . ?
C22 H22 0.9500 . ?
C22 C21 1.382(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(4) . ?
C19 C18 1.386(4) . ?
C5 C6 1.389(4) . ?
C5 C10 1.395(4) . ?
C5 P1 1.800(3) . ?
C11 C16 1.392(4) . ?
C11 C12 1.389(4) . ?
C11 P1 1.816(3) . ?
C37 H37 0.9500 . ?
C37 C32 1.384(4) . ?
C37 C36 1.385(4) . ?
C16 H16 0.9500 . ?
C16 C15 1.386(4) . ?
C32 C33 1.391(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(4) . ?
C20 C21 1.383(4) . ?
C20 C23 1.516(4) . ?
C15 H15 0.9500 . ?
C15 C14 1.379(4) . ?
C51 H51 1.0000 . ?
C51 C50 1.398(4) . ?
C51 C52 1.503(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.401(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.373(4) . ?
C2 H2 0.9500 . ?
C50 H50 1.0000 . ?
C50 C57 1.504(4) . ?
C21 H21 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.395(4) . ?
C30 C29 1.362(5) . ?
C39A H39A 0.9500 . ?
C39A C38A 1.480(8) . ?
C39A C40A 1.349(10) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 H57C 0.9900 . ?
C57 H57D 0.9900 . ?
C57 C56A 1.536(4) . ?
C56A H56A 0.9900 . ?
C56A H56B 0.9900 . ?
C56A C55A 1.546(5) . ?
C26 C27 1.368(4) . ?
C26 C31 1.384(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 H52C 0.9900 . ?
C52 H52D 0.9900 . ?
C52 C53A 1.541(4) . ?
C41A C40A 1.386(7) . ?
C41A C42A 1.386(8) . ?
C41A C44A 1.529(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.393(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(4) . ?
C36 H36 0.9500 . ?
C36 C35 1.367(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.370(5) . ?
C8 C7 1.369(5) . ?
C14 H14 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.379(4) . ?
C18 H18 0.9500 . ?
C10 H10 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.359(5) . ?
C31 H31 0.9500 . ?
C23 H23 1.0000 . ?
C23 C24 1.512(5) . ?
C23 C25 1.520(5) . ?
C35 H35 0.9500 . ?
C35 C34 1.365(5) . ?
C38A C43A 1.331(10) . ?
C43B H43B 0.9500 . ?
C43B C42B 1.390(15) . ?
C29 H29 0.9500 . ?
C40A H40A 0.9500 . ?
C53A H53A 0.9900 . ?
C53A H53B 0.9900 . ?
C53A C54A 1.537(6) . ?
C54A H54A 0.9900 . ?
C54A H54B 0.9900 . ?
C54A C55A 1.515(7) . ?
C55A H55A 0.9900 . ?
C55A H55B 0.9900 . ?
C42A H42A 0.9500 . ?
C42A C43A 1.402(11) . ?
P1 N2 1.608(2) . ?
C34 H34 0.9500 . ?
C7 H7 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C45A C44A 1.424(17) . ?
C44A H44A 1.0000 . ?
C44A C46A 1.523(13) . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C55B H55C 0.9900 . ?
C55B H55D 0.9900 . ?
C55B C54B 1.55(2) . ?
C54B H54C 0.9900 . ?
C54B H54D 0.9900 . ?
C44B H44B 1.0000 . ?
C44B C41B 1.535(11) . ?
C44B C46B 1.51(2) . ?
C44B C45B 1.658(17) . ?
C41B C42B 1.376(11) . ?
C41B C40B 1.375(11) . ?
C42B H42B 0.9500 . ?
C40B H40B 0.9500 . ?
C40B C39B 1.437(16) . ?
C39B H39B 0.9500 . ?
C43A H43A 0.9500 . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Rh1 C50 103.24(9) . . ?
C51 Rh1 N3 103.40(9) . . ?
C51 Rh1 C50 38.29(10) . . ?
C51 Rh1 N2 93.80(9) . . ?
N1 Rh1 N3 80.93(8) . . ?
N1 Rh1 C51 153.18(9) . . ?
N1 Rh1 C50 167.15(9) . . ?
N1 Rh1 N2 81.03(8) . . ?
N2 Rh1 N3 161.81(8) . . ?
N2 Rh1 C50 93.91(9) . . ?
N3 P2 C4 105.39(11) . . ?
N3 P2 C32 115.52(11) . . ?
N3 P2 C26 113.37(12) . . ?
C4 P2 C32 109.55(12) . . ?
C4 P2 C26 107.02(11) . . ?
C32 P2 C26 105.71(12) . . ?
P2 N3 Rh1 113.10(11) . . ?
C38A N3 Rh1 124.74(15) . . ?
C38A N3 P2 118.99(16) . . ?
C3 C4 P2 140.47(19) . . ?
N1 C4 P2 109.62(17) . . ?
N1 C4 C3 109.7(2) . . ?
C22 C17 C18 117.6(2) . . ?
C22 C17 N2 120.6(2) . . ?
C18 C17 N2 121.7(2) . . ?
C2 C1 P1 138.62(19) . . ?
N1 C1 C2 109.9(2) . . ?
N1 C1 P1 111.46(18) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 121.0(3) . . ?
C21 C22 H22 119.5 . . ?
C20 C19 H19 119.2 . . ?
C20 C19 C18 121.6(3) . . ?
C18 C19 H19 119.2 . . ?
C6 C5 C10 119.1(3) . . ?
C6 C5 P1 120.4(2) . . ?
C10 C5 P1 120.3(2) . . ?
C16 C11 P1 117.43(19) . . ?
C12 C11 C16 119.1(2) . . ?
C12 C11 P1 123.1(2) . . ?
C32 C37 H37 119.9 . . ?
C32 C37 C36 120.1(3) . . ?
C36 C37 H37 119.9 . . ?
C11 C16 H16 119.9 . . ?
C15 C16 C11 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C37 C32 P2 119.6(2) . . ?
C37 C32 C33 119.3(3) . . ?
C33 C32 P2 121.1(2) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 120.0 . . ?
C19 C20 C23 120.6(3) . . ?
C21 C20 C19 117.1(3) . . ?
C21 C20 C23 122.2(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.1(3) . . ?
C14 C15 H15 120.0 . . ?
Rh1 C51 H51 112.4 . . ?
C50 C51 Rh1 72.38(15) . . ?
C50 C51 H51 112.4 . . ?
C50 C51 C52 122.2(2) . . ?
C52 C51 Rh1 119.53(17) . . ?
C52 C51 H51 112.4 . . ?
C4 C3 H3 126.8 . . ?
C4 C3 C2 106.4(2) . . ?
C2 C3 H3 126.8 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C1 C2 C3 106.6(2) . . ?
C1 C2 H2 126.7 . . ?
C3 C2 H2 126.7 . . ?
Rh1 C50 H50 111.6 . . ?
C51 C50 Rh1 69.33(14) . . ?
C51 C50 H50 111.6 . . ?
C51 C50 C57 123.7(2) . . ?
C57 C50 Rh1 122.88(17) . . ?
C57 C50 H50 111.6 . . ?
C22 C21 C20 121.7(3) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(3) . . ?
C38A C39A H39A 120.1 . . ?
C40A C39A H39A 120.1 . . ?
C40A C39A C38A 119.9(5) . . ?
C50 C57 H57A 108.9 . . ?
C50 C57 H57B 108.9 . . ?
C50 C57 H57C 108.9 . . ?
C50 C57 H57D 108.9 . . ?
C50 C57 C56A 113.5(2) . . ?
H57A C57 H57B 107.7 . . ?
H57C C57 H57D 107.7 . . ?
C56A C57 H57A 108.9 . . ?
C56A C57 H57B 108.9 . . ?
C57 C56A H56A 108.7 . . ?
C57 C56A H56B 108.7 . . ?
C57 C56A C55A 114.2(3) . . ?
H56A C56A H56B 107.6 . . ?
C55A C56A H56A 108.7 . . ?
C55A C56A H56B 108.7 . . ?
C27 C26 P2 119.3(2) . . ?
C27 C26 C31 120.0(3) . . ?
C31 C26 P2 120.5(2) . . ?
C51 C52 H52A 109.3 . . ?
C51 C52 H52B 109.3 . . ?
C51 C52 H52C 109.3 . . ?
C51 C52 H52D 109.3 . . ?
C51 C52 C53A 111.6(2) . . ?
H52A C52 H52B 108.0 . . ?
H52C C52 H52D 108.0 . . ?
C53A C52 H52A 109.3 . . ?
C53A C52 H52B 109.3 . . ?
C40A C41A C44A 119.6(6) . . ?
C42A C41A C40A 117.6(5) . . ?
C42A C41A C44A 122.7(7) . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.4(3) . . ?
C28 C27 H27 120.3 . . ?
C32 C33 H33 120.3 . . ?
C34 C33 C32 119.4(3) . . ?
C34 C33 H33 120.3 . . ?
C37 C36 H36 119.9 . . ?
C35 C36 C37 120.3(3) . . ?
C35 C36 H36 119.9 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(3) . . ?
C7 C6 H6 120.0 . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(3) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 C15 120.1(3) . . ?
C13 C14 H14 120.0 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.7(3) . . ?
C10 C9 H9 119.7 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.0(3) . . ?
C19 C18 H18 119.5 . . ?
C5 C10 H10 120.1 . . ?
C9 C10 C5 119.8(3) . . ?
C9 C10 H10 120.1 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.7(3) . . ?
C29 C28 H28 119.7 . . ?
C30 C31 H31 120.2 . . ?
C26 C31 C30 119.5(3) . . ?
C26 C31 H31 120.2 . . ?
C20 C23 H23 107.4 . . ?
C20 C23 C25 109.3(3) . . ?
C24 C23 C20 113.8(3) . . ?
C24 C23 H23 107.4 . . ?
C24 C23 C25 111.4(3) . . ?
C25 C23 H23 107.4 . . ?
C36 C35 H35 119.9 . . ?
C34 C35 C36 120.2(3) . . ?
C34 C35 H35 119.9 . . ?
N3 C38A C39A 114.4(4) . . ?
C43A C38A N3 129.2(4) . . ?
C43A C38A C39A 116.4(5) . . ?
C42B C43B H43B 121.0 . . ?
C30 C29 H29 119.9 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.9 . . ?
C39A C40A C41A 122.5(5) . . ?
C39A C40A H40A 118.8 . . ?
C41A C40A H40A 118.8 . . ?
C52 C53A H53A 108.0 . . ?
C52 C53A H53B 108.0 . . ?
H53A C53A H53B 107.3 . . ?
C54A C53A C52 117.1(3) . . ?
C54A C53A H53A 108.0 . . ?
C54A C53A H53B 108.0 . . ?
C53A C54A H54A 108.4 . . ?
C53A C54A H54B 108.4 . . ?
H54A C54A H54B 107.4 . . ?
C55A C54A C53A 115.6(4) . . ?
C55A C54A H54A 108.4 . . ?
C55A C54A H54B 108.4 . . ?
C56A C55A H55A 108.6 . . ?
C56A C55A H55B 108.6 . . ?
C54A C55A C56A 114.8(4) . . ?
C54A C55A H55A 108.6 . . ?
C54A C55A H55B 108.6 . . ?
H55A C55A H55B 107.5 . . ?
C41A C42A H42A 119.7 . . ?
C41A C42A C43A 120.7(5) . . ?
C43A C42A H42A 119.7 . . ?
C1 P1 C5 109.49(12) . . ?
C1 P1 C11 109.33(11) . . ?
C5 P1 C11 105.89(12) . . ?
N2 P1 C1 103.83(11) . . ?
N2 P1 C5 114.54(12) . . ?
N2 P1 C11 113.71(12) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(3) . . ?
C35 C34 H34 119.7 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(3) . . ?
C8 C7 H7 119.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C44A C45A H45A 109.5 . . ?
C44A C45A H45B 109.5 . . ?
C44A C45A H45C 109.5 . . ?
C41A C44A H44A 107.9 . . ?
C45A C44A C41A 113.9(8) . . ?
C45A C44A H44A 107.9 . . ?
C45A C44A C46A 105.9(10) . . ?
C46A C44A C41A 113.2(6) . . ?
C46A C44A H44A 107.9 . . ?
C44A C46A H46A 109.5 . . ?
C44A C46A H46B 109.5 . . ?
C44A C46A H46C 109.5 . . ?
H46A C46A H46B 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
H55C C55B H55D 108.4 . . ?
C54B C55B H55C 110.1 . . ?
C54B C55B H55D 110.1 . . ?
C55B C54B H54C 109.1 . . ?
C55B C54B H54D 109.1 . . ?
H54C C54B H54D 107.9 . . ?
C4 N1 Rh1 126.37(16) . . ?
C1 N1 Rh1 126.03(16) . . ?
C1 N1 C4 107.3(2) . . ?
C17 N2 Rh1 125.65(15) . . ?
C17 N2 P1 118.00(16) . . ?
P1 N2 Rh1 116.34(11) . . ?
C41B C44B H44B 108.6 . . ?
C41B C44B C45B 105.0(8) . . ?
C46B C44B H44B 108.6 . . ?
C46B C44B C41B 111.4(9) . . ?
C46B C44B C45B 114.4(10) . . ?
C45B C44B H44B 108.6 . . ?
C42B C41B C44B 120.8(8) . . ?
C40B C41B C44B 119.7(9) . . ?
C40B C41B C42B 119.4(7) . . ?
C43B C42B H42B 119.1 . . ?
C41B C42B C43B 121.8(8) . . ?
C41B C42B H42B 119.1 . . ?
C41B C40B H40B 120.5 . . ?
C41B C40B C39B 118.9(8) . . ?
C39B C40B H40B 120.5 . . ?
C40B C39B H39B 118.2 . . ?
C38A C43A C42A 122.9(5) . . ?
C38A C43A H43A 118.6 . . ?
C42A C43A H43A 118.6 . . ?
C44B C46B H46D 109.5 . . ?
C44B C46B H46E 109.5 . . ?
C44B C46B H46F 109.5 . . ?
H46D C46B H46E 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
C44B C45B H45D 109.5 . . ?
C44B C45B H45E 109.5 . . ?
C44B C45B H45F 109.5 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N3 C38A C39A 52.6(5) . . . . ?
Rh1 N3 C38A C43A -126.9(6) . . . . ?
Rh1 C51 C50 C57 116.5(2) . . . . ?
Rh1 C51 C52 C53A -176.7(2) . . . . ?
Rh1 C50 C57 C56A 170.27(19) . . . . ?
P2 N3 C38A C39A -105.8(4) . . . . ?
P2 N3 C38A C43A 74.7(6) . . . . ?
P2 C4 C3 C2 -174.7(2) . . . . ?
P2 C4 N1 Rh1 1.5(3) . . . . ?
P2 C4 N1 C1 175.71(16) . . . . ?
P2 C32 C33 C34 178.7(2) . . . . ?
P2 C26 C27 C28 -175.2(2) . . . . ?
P2 C26 C31 C30 176.1(3) . . . . ?
N3 P2 C4 C3 -171.7(3) . . . . ?
N3 P2 C4 N1 13.8(2) . . . . ?
N3 P2 C32 C37 90.7(2) . . . . ?
N3 P2 C32 C33 -87.4(2) . . . . ?
N3 P2 C26 C27 -7.4(3) . . . . ?
N3 P2 C26 C31 176.1(2) . . . . ?
N3 C38A C43A C42A 178.2(5) . . . . ?
C4 P2 N3 Rh1 -22.06(14) . . . . ?
C4 P2 N3 C38A 138.78(19) . . . . ?
C4 P2 C32 C37 -28.1(3) . . . . ?
C4 P2 C32 C33 153.9(2) . . . . ?
C4 P2 C26 C27 108.3(2) . . . . ?
C4 P2 C26 C31 -68.1(3) . . . . ?
C4 C3 C2 C1 0.9(3) . . . . ?
C17 C22 C21 C20 0.3(4) . . . . ?
C1 P1 N2 Rh1 -12.17(15) . . . . ?
C1 P1 N2 C17 166.91(18) . . . . ?
C22 C17 C18 C19 0.1(4) . . . . ?
C22 C17 N2 Rh1 89.4(3) . . . . ?
C22 C17 N2 P1 -89.6(3) . . . . ?
C19 C20 C21 C22 -0.2(4) . . . . ?
C19 C20 C23 C24 -144.3(3) . . . . ?
C19 C20 C23 C25 90.5(4) . . . . ?
C5 C6 C7 C8 1.5(5) . . . . ?
C5 P1 N2 Rh1 -131.51(12) . . . . ?
C5 P1 N2 C17 47.6(2) . . . . ?
C11 C16 C15 C14 1.0(4) . . . . ?
C11 C12 C13 C14 0.1(4) . . . . ?
C11 P1 N2 Rh1 106.54(13) . . . . ?
C11 P1 N2 C17 -74.4(2) . . . . ?
C37 C32 C33 C34 0.7(4) . . . . ?
C37 C36 C35 C34 0.6(5) . . . . ?
C16 C11 C12 C13 -0.1(4) . . . . ?
C16 C11 P1 C1 84.2(2) . . . . ?
C16 C11 P1 C5 -158.0(2) . . . . ?
C16 C11 P1 N2 -31.3(2) . . . . ?
C16 C15 C14 C13 -1.0(4) . . . . ?
C32 P2 N3 Rh1 -143.12(12) . . . . ?
C32 P2 N3 C38A 17.7(2) . . . . ?
C32 P2 C4 C3 -46.8(3) . . . . ?
C32 P2 C4 N1 138.65(17) . . . . ?
C32 P2 C26 C27 -134.9(2) . . . . ?
C32 P2 C26 C31 48.6(3) . . . . ?
C32 C37 C36 C35 0.0(5) . . . . ?
C32 C33 C34 C35 -0.1(5) . . . . ?
C12 C11 C16 C15 -0.4(4) . . . . ?
C12 C11 P1 C1 -89.5(2) . . . . ?
C12 C11 P1 C5 28.4(2) . . . . ?
C12 C11 P1 N2 155.0(2) . . . . ?
C12 C13 C14 C15 0.5(4) . . . . ?
C20 C19 C18 C17 -0.1(5) . . . . ?
C51 C50 C57 C56A 84.5(3) . . . . ?
C51 C52 C53A C54A 45.6(4) . . . . ?
C3 C4 N1 Rh1 -174.83(17) . . . . ?
C3 C4 N1 C1 -0.6(3) . . . . ?
C2 C1 P1 C5 -46.2(3) . . . . ?
C2 C1 P1 C11 69.3(3) . . . . ?
C2 C1 P1 N2 -169.0(3) . . . . ?
C2 C1 N1 Rh1 175.44(17) . . . . ?
C2 C1 N1 C4 1.2(3) . . . . ?
C50 C51 C52 C53A -89.8(3) . . . . ?
C50 C57 C56A C55A -79.8(4) . . . . ?
C21 C20 C23 C24 38.8(4) . . . . ?
C21 C20 C23 C25 -86.4(4) . . . . ?
C39A C38A C43A C42A -1.3(11) . . . . ?
C57 C56A C55A C54A 72.8(4) . . . . ?
C26 P2 N3 Rh1 94.67(13) . . . . ?
C26 P2 N3 C38A -104.5(2) . . . . ?
C26 P2 C4 C3 67.4(3) . . . . ?
C26 P2 C4 N1 -107.19(18) . . . . ?
C26 P2 C32 C37 -143.1(2) . . . . ?
C26 P2 C32 C33 38.9(3) . . . . ?
C26 C27 C28 C29 -0.4(5) . . . . ?
C52 C51 C50 Rh1 -114.3(2) . . . . ?
C52 C51 C50 C57 2.2(4) . . . . ?
C52 C53A C54A C55A 58.9(5) . . . . ?
C41A C42A C43A C38A 0.3(12) . . . . ?
C27 C26 C31 C30 -0.3(5) . . . . ?
C27 C28 C29 C30 -1.4(5) . . . . ?
C36 C37 C32 P2 -178.7(2) . . . . ?
C36 C37 C32 C33 -0.7(4) . . . . ?
C36 C35 C34 C33 -0.6(5) . . . . ?
C6 C5 C10 C9 0.4(4) . . . . ?
C6 C5 P1 C1 -17.2(3) . . . . ?
C6 C5 P1 C11 -134.9(2) . . . . ?
C6 C5 P1 N2 99.0(2) . . . . ?
C8 C9 C10 C5 0.2(5) . . . . ?
C9 C8 C7 C6 -0.9(6) . . . . ?
C18 C17 C22 C21 -0.2(4) . . . . ?
C18 C17 N2 Rh1 -87.4(3) . . . . ?
C18 C17 N2 P1 93.6(3) . . . . ?
C18 C19 C20 C21 0.2(4) . . . . ?
C18 C19 C20 C23 -176.9(3) . . . . ?
C10 C5 C6 C7 -1.2(4) . . . . ?
C10 C5 P1 C1 168.4(2) . . . . ?
C10 C5 P1 C11 50.6(2) . . . . ?
C10 C5 P1 N2 -75.5(2) . . . . ?
C31 C30 C29 C28 2.3(5) . . . . ?
C31 C26 C27 C28 1.2(4) . . . . ?
C23 C20 C21 C22 176.8(3) . . . . ?
C38A C39A C40A C41A -0.4(10) . . . . ?
C29 C30 C31 C26 -1.5(5) . . . . ?
C40A C39A C38A N3 -178.3(5) . . . . ?
C40A C39A C38A C43A 1.3(10) . . . . ?
C40A C41A C42A C43A 0.7(10) . . . . ?
C40A C41A C44A C45A -88.1(11) . . . . ?
C40A C41A C44A C46A 150.8(8) . . . . ?
C53A C54A C55A C56A -101.7(4) . . . . ?
C42A C41A C40A C39A -0.6(9) . . . . ?
C42A C41A C44A C45A 88.3(10) . . . . ?
C42A C41A C44A C46A -32.7(11) . . . . ?
P1 C1 C2 C3 177.6(2) . . . . ?
P1 C1 N1 Rh1 -3.8(3) . . . . ?
P1 C1 N1 C4 -178.02(16) . . . . ?
P1 C5 C6 C7 -175.7(3) . . . . ?
P1 C5 C10 C9 174.9(2) . . . . ?
P1 C11 C16 C15 -174.4(2) . . . . ?
P1 C11 C12 C13 173.4(2) . . . . ?
C7 C8 C9 C10 0.0(5) . . . . ?
C44A C41A C40A C39A 176.0(6) . . . . ?
C44A C41A C42A C43A -175.8(7) . . . . ?
N1 C4 C3 C2 -0.2(3) . . . . ?
N1 C1 C2 C3 -1.3(3) . . . . ?
N1 C1 P1 C5 132.64(18) . . . . ?
N1 C1 P1 C11 -111.78(18) . . . . ?
N1 C1 P1 N2 9.9(2) . . . . ?
N2 C17 C22 C21 -177.1(2) . . . . ?
N2 C17 C18 C19 177.0(3) . . . . ?
C44B C41B C42B C43B -175.4(9) . . . . ?
C44B C41B C40B C39B 175.8(9) . . . . ?
C42B C41B C40B C39B 0.7(13) . . . . ?
C40B C41B C42B C43B -0.3(13) . . . . ?
C46B C44B C41B C42B -121.3(11) . . . . ?
C46B C44B C41B C40B 63.6(13) . . . . ?
C45B C44B C41B C42B 114.4(10) . . . . ?
C45B C44B C41B C40B -60.7(11) . . . . ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2_ph14030
_database_code_depnum_ccdc_archive 'CCDC 1034251'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-11-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C48 H48 N3 P2 Rh'
_chemical_formula_sum            'C48 H48 N3 P2 Rh'
_chemical_formula_weight         831.74
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.185(10)
_cell_length_b                   18.144(11)
_cell_length_c                   15.477(10)
_cell_angle_alpha                90
_cell_angle_beta                 118.406(8)
_cell_angle_gamma                90
_cell_volume                     3998(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    207
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      12.01
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.947
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1728
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.4529
_diffrn_reflns_av_unetI/netI     0.4385
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31351
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.818
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          
;
A well defined diffraction pattern sits overtop of strong powder rings.
 The integration has done its best to distinguish the true reflections from
 the background, but considerable contamination of the intensity data, 
 especially at low 2theta, has occurred. This will limit the final 
 agreement factors intrinsically. I believe that it is this feature of the
 crystal that has caused the high  _diffrn_reflns_av_unetI/netI of 0.4424
 and _diffrn_reflns_av_R_equivalents of 0.4533 values.
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2238
_reflns_number_total             7034
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.894
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         7034
_refine_ls_number_restraints     317
_refine_ls_R_factor_all          0.2886
_refine_ls_R_factor_gt           0.0832
_refine_ls_restrained_S_all      0.879
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0285P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1692
_refine_special_details          
;
 SADI restraints are used to keep the orientation of the ethene H
 atoms having C2v symmetry. C-H distance restraints are also applied
 at 0.94 A, i.e. for typical sp2 C. Thermal ellipsoids of most carbon and nitrogen atoms with similar chemical environment was restrained to be similar using SIMU restraint. Furthermore, some severely distorted ellipsoids were corrected to be more isotropic using ISOR restraint. All above corrections have been applied as the quality of the data does not allow accurate description of the thermal motions of the atoms.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C47-H47A = C47-H47B = C48-H48A = C48-H48B
 0.98 with sigma of 0.02
 Rh1-H47A \\sim Rh1-H47B \\sim Rh1-H48A \\sim Rh1-H48B
 with sigma of 0.02
 H47A-H47B \\sim H48A-H48B
 with sigma of 0.02
 C48-H47A \\sim C48-H47B \\sim C47-H48A \\sim C47-H48B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C38 \\sim C43 \\sim C42 \\sim C41 \\sim C40 \\sim C39 \\sim C22 \\sim C17 \\sim
C18 \\sim C19 \\sim C20 \\sim C21: within 2A with sigma of 0.005 and sigma for
terminal atoms of 0.01
C4 \\sim C3 \\sim C2 \\sim C1: within 2A with sigma of 0.005 and sigma for
terminal atoms of 0.01
C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C5 \\sim C6 \\sim
C7 \\sim C8 \\sim C9 \\sim C10 \\sim C26 \\sim C31 \\sim C30 \\sim C29 \\sim
C28 \\sim C27 \\sim C32 \\sim C37 \\sim C35 \\sim C34 \\sim C33: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(N3) \\sim
Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C26) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C46) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C48) \\sim Ueq, Uanis(C47) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4.a Ternary CH refined with riding coordinates:
 C23(H23), C44(H44)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C18(H18), C19(H19),
 C21(H21), C22(H22), C39(H39), C40(H40), C42(H42), C43(H43)
4.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C24(H24A,H24B,H24C), C45(H45A,H45B,H45C), C46(H46A,H46B,
 H46C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.22215(7) 0.46112(6) 0.71845(7) 0.0260(3) Uani 1 1 d . . . . .
P1 P 0.4187(2) 0.4570(2) 0.7207(2) 0.0294(9) Uani 1 1 d . . . . .
P2 P 0.1671(2) 0.30739(18) 0.7540(2) 0.0260(9) Uani 1 1 d . . . . .
N1 N 0.3084(6) 0.3738(5) 0.7574(6) 0.020(2) Uani 1 1 d . U . . .
N2 N 0.3192(6) 0.5006(5) 0.6750(6) 0.022(2) Uani 1 1 d . U . . .
N3 N 0.1503(6) 0.3931(5) 0.7731(6) 0.021(3) Uani 1 1 d . U . . .
C1 C 0.3932(8) 0.3720(6) 0.7584(8) 0.025(3) Uani 1 1 d . U . . .
C2 C 0.4212(8) 0.2993(6) 0.7714(8) 0.029(2) Uani 1 1 d . . . . .
H2 H 0.4769 0.2807 0.7734 0.035 Uiso 1 1 calc R . . . .
C3 C 0.3524(8) 0.2570(7) 0.7813(8) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.3531 0.2053 0.7912 0.037 Uiso 1 1 calc R . . . .
C4 C 0.2849(9) 0.3059(6) 0.7737(8) 0.028(3) Uani 1 1 d . . . . .
C5 C 0.4601(8) 0.4364(6) 0.6346(9) 0.029(3) Uani 1 1 d . . . . .
C6 C 0.4009(8) 0.4328(6) 0.5360(8) 0.032(3) Uani 1 1 d . . . . .
H6 H 0.3372 0.4476 0.5098 0.038 Uiso 1 1 calc R . . . .
C7 C 0.4354(8) 0.4073(6) 0.4744(9) 0.033(3) Uani 1 1 d . . . . .
H7 H 0.3929 0.4028 0.4062 0.040 Uiso 1 1 calc R . . . .
C8 C 0.5255(9) 0.3887(7) 0.5063(9) 0.041(3) Uani 1 1 d . . . . .
H8 H 0.5471 0.3736 0.4617 0.050 Uiso 1 1 calc R . . . .
C9 C 0.5857(9) 0.3923(7) 0.6056(9) 0.042(3) Uani 1 1 d . . . . .
H9 H 0.6497 0.3787 0.6306 0.051 Uiso 1 1 calc R . . . .
C10 C 0.5536(9) 0.4156(6) 0.6688(9) 0.039(3) Uani 1 1 d . . . . .
H10 H 0.5959 0.4177 0.7373 0.046 Uiso 1 1 calc R . . . .
C11 C 0.5187(8) 0.4986(7) 0.8249(8) 0.028(3) Uani 1 1 d . . . . .
C12 C 0.5467(8) 0.4734(7) 0.9185(8) 0.038(3) Uani 1 1 d . . . . .
H12 H 0.5163 0.4319 0.9282 0.046 Uiso 1 1 calc R . . . .
C13 C 0.6193(8) 0.5083(7) 0.9995(9) 0.044(3) Uani 1 1 d . . . . .
H13 H 0.6384 0.4903 1.0639 0.052 Uiso 1 1 calc R . . . .
C14 C 0.6636(9) 0.5696(7) 0.9855(9) 0.041(3) Uani 1 1 d . . . . .
H14 H 0.7134 0.5938 1.0398 0.049 Uiso 1 1 calc R . . . .
C15 C 0.6329(8) 0.5946(7) 0.8899(9) 0.036(3) Uani 1 1 d . . . . .
H15 H 0.6639 0.6354 0.8793 0.043 Uiso 1 1 calc R . . . .
C16 C 0.5602(8) 0.5625(7) 0.8116(9) 0.038(3) Uani 1 1 d . . . . .
H16 H 0.5374 0.5832 0.7479 0.045 Uiso 1 1 calc R . . . .
C32 C 0.0908(8) 0.2747(7) 0.6296(8) 0.025(3) Uani 1 1 d . . . . .
C33 C 0.0207(8) 0.3200(7) 0.5678(8) 0.029(3) Uani 1 1 d . . . . .
H33 H 0.0130 0.3673 0.5891 0.035 Uiso 1 1 calc R . . . .
C34 C -0.0397(8) 0.2961(7) 0.4728(9) 0.038(3) Uani 1 1 d . . . . .
H34 H -0.0908 0.3264 0.4300 0.046 Uiso 1 1 calc R . . . .
C35 C -0.0258(9) 0.2294(7) 0.4411(9) 0.041(3) Uani 1 1 d . . . . .
H35 H -0.0680 0.2130 0.3767 0.049 Uiso 1 1 calc R . . . .
C36 C 0.0494(9) 0.1854(7) 0.5024(9) 0.037(4) Uani 1 1 d . . . . .
H36 H 0.0607 0.1403 0.4786 0.044 Uiso 1 1 calc R . . . .
C37 C 0.1085(8) 0.2074(6) 0.5986(8) 0.025(3) Uani 1 1 d . . . . .
H37 H 0.1594 0.1773 0.6419 0.030 Uiso 1 1 calc R . . . .
C26 C 0.1578(8) 0.2400(6) 0.8343(8) 0.027(3) Uani 1 1 d . U . . .
C27 C 0.0865(8) 0.1893(6) 0.8032(9) 0.034(3) Uani 1 1 d . . . . .
H27 H 0.0373 0.1906 0.7373 0.041 Uiso 1 1 calc R . . . .
C28 C 0.0856(8) 0.1365(7) 0.8668(9) 0.036(3) Uani 1 1 d . . . . .
H28 H 0.0368 0.1009 0.8439 0.043 Uiso 1 1 calc R . . . .
C29 C 0.1562(9) 0.1351(7) 0.9649(9) 0.041(3) Uani 1 1 d . . . . .
H29 H 0.1568 0.0981 1.0085 0.049 Uiso 1 1 calc R . . . .
C30 C 0.2243(9) 0.1883(7) 0.9964(9) 0.037(3) Uani 1 1 d . . . . .
H30 H 0.2697 0.1901 1.0639 0.044 Uiso 1 1 calc R . . . .
C31 C 0.2287(8) 0.2395(7) 0.9324(9) 0.034(3) Uani 1 1 d . . . . .
H31 H 0.2791 0.2738 0.9547 0.041 Uiso 1 1 calc R . . . .
C17 C 0.3136(9) 0.5749(7) 0.6346(9) 0.031(2) Uani 1 1 d . . . . .
C18 C 0.2586(8) 0.5836(7) 0.5324(8) 0.032(2) Uani 1 1 d . . . . .
H18 H 0.2280 0.5423 0.4921 0.038 Uiso 1 1 calc R . . . .
C19 C 0.2490(8) 0.6533(7) 0.4906(9) 0.036(2) Uani 1 1 d . . . . .
H19 H 0.2159 0.6580 0.4211 0.044 Uiso 1 1 calc R . . . .
C20 C 0.2862(9) 0.7153(7) 0.5469(9) 0.035(2) Uani 1 1 d . . . . .
C21 C 0.3356(8) 0.7061(7) 0.6473(9) 0.037(2) Uani 1 1 d . . . . .
H21 H 0.3604 0.7482 0.6881 0.044 Uiso 1 1 calc R . . . .
C22 C 0.3499(8) 0.6371(7) 0.6903(9) 0.036(2) Uani 1 1 d . . . . .
H22 H 0.3857 0.6328 0.7597 0.044 Uiso 1 1 calc R . . . .
C23 C 0.2775(9) 0.7905(7) 0.5001(9) 0.037(4) Uani 1 1 d . U . . .
H23 H 0.2971 0.8290 0.5524 0.045 Uiso 1 1 calc R . . . .
C25 C 0.3414(9) 0.7954(7) 0.4527(9) 0.058(4) Uani 1 1 d . U . . .
H25A H 0.4031 0.7745 0.4973 0.087 Uiso 1 1 calc GR . . . .
H25B H 0.3488 0.8471 0.4395 0.087 Uiso 1 1 calc GR . . . .
H25C H 0.3134 0.7677 0.3909 0.087 Uiso 1 1 calc GR . . . .
C24 C 0.1766(9) 0.8057(7) 0.4223(9) 0.051(4) Uani 1 1 d . U . . .
H24A H 0.1603 0.7739 0.3653 0.076 Uiso 1 1 calc GR . . . .
H24B H 0.1706 0.8575 0.4019 0.076 Uiso 1 1 calc GR . . . .
H24C H 0.1341 0.7957 0.4495 0.076 Uiso 1 1 calc GR . . . .
C38 C 0.0753(8) 0.4142(6) 0.7912(8) 0.025(2) Uani 1 1 d . . . . .
C39 C -0.0130(8) 0.3791(7) 0.7515(8) 0.028(2) Uani 1 1 d . . . . .
H39 H -0.0238 0.3354 0.7136 0.033 Uiso 1 1 calc R . . . .
C40 C -0.0855(8) 0.4084(6) 0.7675(8) 0.029(2) Uani 1 1 d . . . . .
H40 H -0.1457 0.3857 0.7373 0.035 Uiso 1 1 calc R . . . .
C41 C -0.0702(8) 0.4695(7) 0.8264(8) 0.027(2) Uani 1 1 d . . . . .
C42 C 0.0159(8) 0.5017(6) 0.8672(8) 0.027(2) Uani 1 1 d . . . . .
H42 H 0.0267 0.5437 0.9079 0.032 Uiso 1 1 calc R . . . .
C43 C 0.0883(8) 0.4763(6) 0.8522(7) 0.026(2) Uani 1 1 d . . . . .
H43 H 0.1475 0.5005 0.8830 0.031 Uiso 1 1 calc R . . . .
C44 C -0.1487(8) 0.4987(6) 0.8446(8) 0.028(3) Uani 1 1 d . U . . .
H44 H -0.1220 0.5372 0.8970 0.034 Uiso 1 1 calc R . . . .
C45 C -0.1949(7) 0.4386(6) 0.8776(8) 0.032(4) Uani 1 1 d . U . . .
H45A H -0.2186 0.3992 0.8285 0.048 Uiso 1 1 calc GR . . . .
H45B H -0.2471 0.4601 0.8843 0.048 Uiso 1 1 calc GR . . . .
H45C H -0.1483 0.4184 0.9409 0.048 Uiso 1 1 calc GR . . . .
C46 C -0.2243(8) 0.5344(7) 0.7508(7) 0.041(3) Uani 1 1 d . U . . .
H46A H -0.1965 0.5748 0.7311 0.061 Uiso 1 1 calc GR . . . .
H46B H -0.2744 0.5538 0.7628 0.061 Uiso 1 1 calc GR . . . .
H46C H -0.2504 0.4975 0.6982 0.061 Uiso 1 1 calc GR . . . .
C47 C 0.1053(9) 0.5232(7) 0.6232(9) 0.035(4) Uani 1 1 d D U . . .
H47A H 0.107(4) 0.536(3) 0.562(2) 0.03(3) Uiso 1 1 d D . . . .
H47B H 0.0461(19) 0.499(3) 0.609(4) 0.04(4) Uiso 1 1 d D . . . .
C48 C 0.1577(8) 0.5634(7) 0.7094(8) 0.030(3) Uani 1 1 d D U . . .
H48A H 0.198(3) 0.6042(18) 0.712(4) 0.07(4) Uiso 1 1 d D . . . .
H48B H 0.137(4) 0.568(3) 0.759(3) 0.03(3) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N1 2.005(9) . ?
Rh1 N2 2.107(9) . ?
Rh1 N3 2.127(8) . ?
Rh1 C47 2.089(12) . ?
Rh1 C48 2.100(12) . ?
P1 N2 1.624(9) . ?
P1 C1 1.766(12) . ?
P1 C5 1.792(11) . ?
P1 C11 1.819(12) . ?
P2 N3 1.631(9) . ?
P2 C4 1.783(13) . ?
P2 C32 1.822(11) . ?
P2 C26 1.800(11) . ?
N1 C1 1.366(12) . ?
N1 C4 1.349(12) . ?
N2 C17 1.470(13) . ?
N3 C38 1.422(13) . ?
C1 C2 1.378(14) . ?
C2 H2 0.9500 . ?
C2 C3 1.419(14) . ?
C3 H3 0.9500 . ?
C3 C4 1.368(15) . ?
C5 C6 1.363(14) . ?
C5 C10 1.396(15) . ?
C6 H6 0.9500 . ?
C6 C7 1.394(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.341(15) . ?
C8 H8 0.9500 . ?
C8 C9 1.375(15) . ?
C9 H9 0.9500 . ?
C9 C10 1.376(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(14) . ?
C11 C16 1.403(15) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(14) . ?
C13 H13 0.9500 . ?
C13 C14 1.396(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.355(14) . ?
C16 H16 0.9500 . ?
C32 C33 1.358(14) . ?
C32 C37 1.391(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.391(14) . ?
C34 H34 0.9500 . ?
C34 C35 1.365(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.385(15) . ?
C36 H36 0.9500 . ?
C36 C37 1.392(14) . ?
C37 H37 0.9500 . ?
C26 C27 1.371(14) . ?
C26 C31 1.403(14) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(14) . ?
C28 H28 0.9500 . ?
C28 C29 1.400(15) . ?
C29 H29 0.9500 . ?
C29 C30 1.368(15) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(15) . ?
C31 H31 0.9500 . ?
C17 C18 1.406(15) . ?
C17 C22 1.373(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.395(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.375(15) . ?
C20 C21 1.378(14) . ?
C20 C23 1.519(14) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(15) . ?
C22 H22 0.9500 . ?
C23 H23 1.0000 . ?
C23 C25 1.530(15) . ?
C23 C24 1.524(15) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C38 C39 1.411(14) . ?
C38 C43 1.419(14) . ?
C39 H39 0.9500 . ?
C39 C40 1.413(14) . ?
C40 H40 0.9500 . ?
C40 C41 1.381(14) . ?
C41 C42 1.358(14) . ?
C41 C44 1.522(14) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(14) . ?
C43 H43 0.9500 . ?
C44 H44 1.0000 . ?
C44 C45 1.539(13) . ?
C44 C46 1.528(13) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.987(18) . ?
C47 H47B 0.977(18) . ?
C47 C48 1.399(16) . ?
C48 H48A 0.974(18) . ?
C48 H48B 0.981(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 N2 81.2(4) . . ?
N1 Rh1 N3 81.8(4) . . ?
N1 Rh1 C47 154.8(4) . . ?
N1 Rh1 C48 166.0(4) . . ?
N2 Rh1 N3 162.9(3) . . ?
C47 Rh1 N2 98.8(4) . . ?
C47 Rh1 N3 96.3(4) . . ?
C47 Rh1 C48 39.0(4) . . ?
C48 Rh1 N2 95.7(4) . . ?
C48 Rh1 N3 101.0(4) . . ?
N2 P1 C1 103.3(5) . . ?
N2 P1 C5 115.0(5) . . ?
N2 P1 C11 117.6(5) . . ?
C1 P1 C5 107.0(6) . . ?
C1 P1 C11 108.6(6) . . ?
C5 P1 C11 104.8(5) . . ?
N3 P2 C4 103.9(5) . . ?
N3 P2 C32 114.5(5) . . ?
N3 P2 C26 116.6(5) . . ?
C4 P2 C32 107.9(5) . . ?
C4 P2 C26 107.8(5) . . ?
C26 P2 C32 105.7(6) . . ?
C1 N1 Rh1 125.1(8) . . ?
C4 N1 Rh1 124.1(8) . . ?
C4 N1 C1 110.3(10) . . ?
P1 N2 Rh1 115.5(5) . . ?
C17 N2 Rh1 122.9(7) . . ?
C17 N2 P1 118.7(8) . . ?
P2 N3 Rh1 108.1(4) . . ?
C38 N3 Rh1 127.0(7) . . ?
C38 N3 P2 121.6(8) . . ?
N1 C1 P1 111.5(9) . . ?
N1 C1 C2 106.4(10) . . ?
C2 C1 P1 140.6(10) . . ?
C1 C2 H2 125.9 . . ?
C1 C2 C3 108.3(11) . . ?
C3 C2 H2 125.9 . . ?
C2 C3 H3 127.0 . . ?
C4 C3 C2 106.0(11) . . ?
C4 C3 H3 127.0 . . ?
N1 C4 P2 109.2(9) . . ?
N1 C4 C3 108.9(11) . . ?
C3 C4 P2 140.4(10) . . ?
C6 C5 P1 122.0(10) . . ?
C6 C5 C10 118.0(11) . . ?
C10 C5 P1 119.7(10) . . ?
C5 C6 H6 120.5 . . ?
C5 C6 C7 119.0(12) . . ?
C7 C6 H6 120.5 . . ?
C6 C7 H7 118.3 . . ?
C8 C7 C6 123.4(12) . . ?
C8 C7 H7 118.3 . . ?
C7 C8 H8 121.1 . . ?
C7 C8 C9 117.9(12) . . ?
C9 C8 H8 121.1 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.2(13) . . ?
C10 C9 H9 119.9 . . ?
C5 C10 H10 119.3 . . ?
C9 C10 C5 121.4(12) . . ?
C9 C10 H10 119.3 . . ?
C12 C11 P1 120.3(10) . . ?
C12 C11 C16 119.3(12) . . ?
C16 C11 P1 119.9(10) . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.7(13) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(13) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.3(13) . . ?
C15 C14 H14 120.8 . . ?
C14 C15 H15 119.0 . . ?
C16 C15 C14 121.9(13) . . ?
C16 C15 H15 119.0 . . ?
C11 C16 H16 120.1 . . ?
C15 C16 C11 119.8(13) . . ?
C15 C16 H16 120.1 . . ?
C33 C32 P2 117.8(10) . . ?
C33 C32 C37 121.9(11) . . ?
C37 C32 P2 120.2(9) . . ?
C32 C33 H33 120.4 . . ?
C32 C33 C34 119.2(12) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.1(13) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(12) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0(12) . . ?
C37 C36 H36 120.0 . . ?
C32 C37 C36 118.1(12) . . ?
C32 C37 H37 120.9 . . ?
C36 C37 H37 120.9 . . ?
C27 C26 P2 123.1(10) . . ?
C27 C26 C31 119.6(11) . . ?
C31 C26 P2 117.2(9) . . ?
C26 C27 H27 119.7 . . ?
C26 C27 C28 120.6(12) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.8 . . ?
C27 C28 C29 120.5(12) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.8 . . ?
C30 C29 C28 118.5(13) . . ?
C30 C29 H29 120.8 . . ?
C29 C30 H30 119.1 . . ?
C29 C30 C31 121.7(13) . . ?
C31 C30 H30 119.1 . . ?
C26 C31 H31 120.5 . . ?
C30 C31 C26 119.0(12) . . ?
C30 C31 H31 120.5 . . ?
C18 C17 N2 117.4(11) . . ?
C22 C17 N2 124.4(11) . . ?
C22 C17 C18 117.8(12) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.7(12) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 119.0 . . ?
C20 C19 C18 122.0(13) . . ?
C20 C19 H19 119.0 . . ?
C19 C20 C21 117.4(13) . . ?
C19 C20 C23 121.3(12) . . ?
C21 C20 C23 121.3(12) . . ?
C20 C21 H21 119.1 . . ?
C20 C21 C22 121.8(13) . . ?
C22 C21 H21 119.1 . . ?
C17 C22 C21 121.2(12) . . ?
C17 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C20 C23 H23 108.7 . . ?
C20 C23 C25 110.6(10) . . ?
C20 C23 C24 111.2(10) . . ?
C25 C23 H23 108.7 . . ?
C24 C23 H23 108.7 . . ?
C24 C23 C25 109.0(11) . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C39 C38 N3 125.1(11) . . ?
C39 C38 C43 116.6(11) . . ?
C43 C38 N3 118.3(10) . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.5(11) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 121.0(11) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 C44 119.9(11) . . ?
C42 C41 C40 118.4(11) . . ?
C42 C41 C44 121.8(11) . . ?
C41 C42 H42 118.5 . . ?
C41 C42 C43 123.0(11) . . ?
C43 C42 H42 118.5 . . ?
C38 C43 H43 119.7 . . ?
C42 C43 C38 120.6(11) . . ?
C42 C43 H43 119.7 . . ?
C41 C44 H44 108.5 . . ?
C41 C44 C45 113.2(10) . . ?
C41 C44 C46 109.5(9) . . ?
C45 C44 H44 108.5 . . ?
C46 C44 H44 108.5 . . ?
C46 C44 C45 108.7(10) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Rh1 C47 H47A 112(3) . . ?
Rh1 C47 H47B 112(3) . . ?
H47A C47 H47B 111(6) . . ?
C48 C47 Rh1 70.9(7) . . ?
C48 C47 H47A 121(3) . . ?
C48 C47 H47B 122(3) . . ?
Rh1 C48 H48A 112(3) . . ?
Rh1 C48 H48B 112(3) . . ?
C47 C48 Rh1 70.1(7) . . ?
C47 C48 H48A 121(3) . . ?
C47 C48 H48B 121(3) . . ?
H48A C48 H48B 112(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N1 C1 P1 0.0(12) . . . . ?
Rh1 N1 C1 C2 -169.1(7) . . . . ?
Rh1 N1 C4 P2 0.5(12) . . . . ?
Rh1 N1 C4 C3 169.2(7) . . . . ?
Rh1 N2 C17 C18 -88.4(11) . . . . ?
Rh1 N2 C17 C22 84.5(14) . . . . ?
Rh1 N3 C38 C39 125.0(10) . . . . ?
Rh1 N3 C38 C43 -53.6(13) . . . . ?
P1 N2 C17 C18 111.9(11) . . . . ?
P1 N2 C17 C22 -75.3(14) . . . . ?
P1 C1 C2 C3 -165.6(11) . . . . ?
P1 C5 C6 C7 -171.8(9) . . . . ?
P1 C5 C10 C9 173.5(10) . . . . ?
P1 C11 C12 C13 -175.6(9) . . . . ?
P1 C11 C16 C15 178.0(9) . . . . ?
P2 N3 C38 C39 -32.2(15) . . . . ?
P2 N3 C38 C43 149.3(8) . . . . ?
P2 C32 C33 C34 -178.9(9) . . . . ?
P2 C32 C37 C36 -178.7(9) . . . . ?
P2 C26 C27 C28 176.7(9) . . . . ?
P2 C26 C31 C30 -179.8(9) . . . . ?
N1 C1 C2 C3 -1.7(13) . . . . ?
N2 P1 C1 N1 -12.3(9) . . . . ?
N2 P1 C1 C2 151.1(14) . . . . ?
N2 P1 C5 C6 -22.3(12) . . . . ?
N2 P1 C5 C10 164.5(9) . . . . ?
N2 P1 C11 C12 101.2(10) . . . . ?
N2 P1 C11 C16 -70.7(10) . . . . ?
N2 C17 C18 C19 178.5(10) . . . . ?
N2 C17 C22 C21 -174.9(11) . . . . ?
N3 P2 C4 N1 -25.0(9) . . . . ?
N3 P2 C4 C3 171.8(14) . . . . ?
N3 P2 C32 C33 -7.4(11) . . . . ?
N3 P2 C32 C37 168.7(9) . . . . ?
N3 P2 C26 C27 111.5(10) . . . . ?
N3 P2 C26 C31 -69.8(10) . . . . ?
N3 C38 C39 C40 -174.6(10) . . . . ?
N3 C38 C43 C42 176.0(10) . . . . ?
C1 P1 N2 Rh1 19.3(6) . . . . ?
C1 P1 N2 C17 -179.4(8) . . . . ?
C1 P1 C5 C6 91.7(11) . . . . ?
C1 P1 C5 C10 -81.5(10) . . . . ?
C1 P1 C11 C12 -15.6(11) . . . . ?
C1 P1 C11 C16 172.5(9) . . . . ?
C1 N1 C4 P2 -171.5(7) . . . . ?
C1 N1 C4 C3 -2.7(14) . . . . ?
C1 C2 C3 C4 0.1(13) . . . . ?
C2 C3 C4 P2 164.8(12) . . . . ?
C2 C3 C4 N1 1.6(13) . . . . ?
C4 P2 N3 Rh1 36.5(6) . . . . ?
C4 P2 N3 C38 -162.5(9) . . . . ?
C4 P2 C32 C33 -122.6(10) . . . . ?
C4 P2 C32 C37 53.6(11) . . . . ?
C4 P2 C26 C27 -132.2(10) . . . . ?
C4 P2 C26 C31 46.5(10) . . . . ?
C4 N1 C1 P1 171.8(8) . . . . ?
C4 N1 C1 C2 2.7(13) . . . . ?
C5 P1 N2 Rh1 135.5(5) . . . . ?
C5 P1 N2 C17 -63.3(9) . . . . ?
C5 P1 C1 N1 -134.1(8) . . . . ?
C5 P1 C1 C2 29.4(15) . . . . ?
C5 P1 C11 C12 -129.7(10) . . . . ?
C5 P1 C11 C16 58.4(10) . . . . ?
C5 C6 C7 C8 -3.0(19) . . . . ?
C6 C5 C10 C9 0.0(18) . . . . ?
C6 C7 C8 C9 3(2) . . . . ?
C7 C8 C9 C10 -1(2) . . . . ?
C8 C9 C10 C5 0(2) . . . . ?
C10 C5 C6 C7 1.5(17) . . . . ?
C11 P1 N2 Rh1 -100.3(6) . . . . ?
C11 P1 N2 C17 61.0(10) . . . . ?
C11 P1 C1 N1 113.3(8) . . . . ?
C11 P1 C1 C2 -83.3(15) . . . . ?
C11 P1 C5 C6 -153.1(10) . . . . ?
C11 P1 C5 C10 33.8(11) . . . . ?
C11 C12 C13 C14 0.4(18) . . . . ?
C12 C11 C16 C15 6.1(17) . . . . ?
C12 C13 C14 C15 0.5(18) . . . . ?
C13 C14 C15 C16 2.0(18) . . . . ?
C14 C15 C16 C11 -5.3(18) . . . . ?
C16 C11 C12 C13 -3.7(18) . . . . ?
C32 P2 N3 Rh1 -80.9(6) . . . . ?
C32 P2 N3 C38 80.0(10) . . . . ?
C32 P2 C4 N1 97.0(9) . . . . ?
C32 P2 C4 C3 -66.2(16) . . . . ?
C32 P2 C26 C27 -17.0(11) . . . . ?
C32 P2 C26 C31 161.7(9) . . . . ?
C32 C33 C34 C35 -3.0(19) . . . . ?
C33 C32 C37 C36 -2.7(17) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C34 C35 C36 C37 3(2) . . . . ?
C35 C36 C37 C32 -1.5(18) . . . . ?
C37 C32 C33 C34 5.0(18) . . . . ?
C26 P2 N3 Rh1 155.0(5) . . . . ?
C26 P2 N3 C38 -44.1(10) . . . . ?
C26 P2 C4 N1 -149.3(8) . . . . ?
C26 P2 C4 C3 47.5(16) . . . . ?
C26 P2 C32 C33 122.3(10) . . . . ?
C26 P2 C32 C37 -61.5(10) . . . . ?
C26 C27 C28 C29 1.7(18) . . . . ?
C27 C26 C31 C30 -1.0(17) . . . . ?
C27 C28 C29 C30 1.7(18) . . . . ?
C28 C29 C30 C31 -4.8(19) . . . . ?
C29 C30 C31 C26 4.5(18) . . . . ?
C31 C26 C27 C28 -2.0(18) . . . . ?
C17 C18 C19 C20 -4.9(19) . . . . ?
C18 C17 C22 C21 -2.0(18) . . . . ?
C18 C19 C20 C21 1.4(19) . . . . ?
C18 C19 C20 C23 178.3(11) . . . . ?
C19 C20 C21 C22 1.8(19) . . . . ?
C19 C20 C23 C25 -72.0(15) . . . . ?
C19 C20 C23 C24 49.2(16) . . . . ?
C20 C21 C22 C17 -1.5(19) . . . . ?
C21 C20 C23 C25 104.7(14) . . . . ?
C21 C20 C23 C24 -134.1(12) . . . . ?
C22 C17 C18 C19 5.1(18) . . . . ?
C23 C20 C21 C22 -175.0(11) . . . . ?
C38 C39 C40 C41 -3.4(17) . . . . ?
C39 C38 C43 C42 -2.7(16) . . . . ?
C39 C40 C41 C42 1.3(17) . . . . ?
C39 C40 C41 C44 -178.4(10) . . . . ?
C40 C41 C42 C43 0.1(17) . . . . ?
C40 C41 C44 C45 50.3(14) . . . . ?
C40 C41 C44 C46 -71.1(14) . . . . ?
C41 C42 C43 C38 0.7(17) . . . . ?
C42 C41 C44 C45 -129.4(11) . . . . ?
C42 C41 C44 C46 109.2(12) . . . . ?
C43 C38 C39 C40 4.0(16) . . . . ?
C44 C41 C42 C43 179.8(10) . . . . ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3_ph14024_c_0m
_database_code_depnum_ccdc_archive 'CCDC 1034252'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C60 H54 N3 P2 Rh, 2(C6 H6)'
_chemical_formula_sum            'C72 H66 N3 P2 Rh'
_chemical_formula_weight         1138.12
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.567(4)
_cell_length_b                   28.198(8)
_cell_length_c                   16.293(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.213(6)
_cell_angle_gamma                90
_cell_volume                     5886(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    173
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.390
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0637 before and 0.0560 after correction.
The Ratio of minimum to maximum transmission is 0.9226.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            74858
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.444
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8150
_reflns_number_total             10367
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.932
_refine_diff_density_min         -1.055
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         10367
_refine_ls_number_restraints     282
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0619
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0506P)²+22.9074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1491
_refine_ls_wR_factor_ref         0.1601
_refine_special_details          
'Both of the pheny iPr groups are disordered and were refined over two positions with occupation factor ratios of 0.57:0.43 and .'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C44A, C44B}
{C46A, C46B}
3. Restrained distances
 C24B-C23B = C25B-C23B = C25A-C23A = C24A-C23A
 1.55 with sigma of 0.005
 C23A-C20 = C23B-C20
 1.54 with sigma of 0.005
4. Restrained planarity
 C10S, C7S, C12S, C8S, H8S, C9S, H9S, H7S, H10S, C11S, H12S, H11S
 with sigma of 0.1
 C2S, C6S, H6S, C5S, C1S, C4S, H5S, H1S, H4S, C3S, H2S, H3S
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C1S \\sim C6S \\sim C5S \\sim C4S \\sim C3S \\sim C2S: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C11S \\sim C10S \\sim C9S \\sim C8S \\sim C7S \\sim C12S: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60 \\sim C49 \\sim C53 \\sim
C54 \\sim C52 \\sim C51 \\sim C50: within 2A with sigma of 0.005 and sigma for
terminal atoms of 0.01
C25B \\sim C24B \\sim C24A \\sim C25A: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01
C23B \\sim C23A: within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01
Uanis(C46B) \\sim Ueq, Uanis(C46A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C51) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C25A) \\sim Ueq, Uanis(C24A) \\sim Ueq, Uanis(C45A) \\sim Ueq,
Uanis(C45B) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C23A) \\sim Ueq, Uanis(C23B) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C25B) \\sim Ueq, Uanis(C25A) \\sim Ueq, Uanis(C24B) \\sim Ueq,
Uanis(C24A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C44A) = Uanis(C44B)
Uanis(C46A) = Uanis(C46B)
6. Others
 Sof(C45B)=Sof(H45D)=Sof(H45E)=Sof(H45F)=Sof(C44B)=Sof(H44B)=Sof(C46B)=
 Sof(H46D)=Sof(H46E)=Sof(H46F)=1-FVAR(1)
 Sof(C44A)=Sof(H44A)=Sof(C46A)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C45A)=
 Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(1)
 Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25B)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=Sof(C23B)=Sof(H23B)=1-FVAR(2)
 Sof(C23A)=Sof(H23A)=Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25A)=
 Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(2)
7.a Ternary CH refined with riding coordinates:
 C23A(H23A), C44A(H44A), C44B(H44B), C23B(H23B)
7.b Aromatic/amide H refined with riding coordinates:
 C28(H28), C10(H10), C2(H2), C39(H39), C31(H31), C18(H18), C43(H43), C16(H16),
 C22(H22), C27(H27), C37(H37), C33(H33), C6(H6), C7(H7), C30(H30), C12(H12),
 C14(H14), C42(H42), C9(H9), C8(H8), C21(H21), C50(H50), C35(H35), C13(H13),
 C29(H29), C34(H34), C40(H40), C19(H19), C56(H56), C3(H3), C60(H60), C59(H59),
 C15(H15), C36(H36), C54(H54), C51(H51), C58(H58), C52(H52), C53(H53), C57(H57),
  C2S(H2S), C3S(H3S), C4S(H4S), C5S(H5S), C6S(H6S), C1S(H1S), C10S(H10S),
 C11S(H11S), C12S(H12S), C7S(H7S), C8S(H8S), C9S(H9S)
7.c Fitted hexagon refined as free rotating group:
 C2S(C3S,C4S,C5S,C6S,C1S), C10S(C11S,C12S,C7S,C8S,C9S)
7.d Idealised Me refined as rotating group:
 C46A(H46A,H46B,H46C), C45A(H45A,H45B,H45C), C24A(H24A,H24B,H24C), C25A(H25A,
 H25B,H25C), C45B(H45D,H45E,H45F), C46B(H46D,H46E,H46F), C24B(H24D,H24E,H24F),
 C25B(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.31050(3) 0.17752(2) 0.37041(2) 0.02447(12) Uani 1 1 d . . . . .
P2 P 0.15877(10) 0.25687(5) 0.39147(8) 0.0268(3) Uani 1 1 d . . . . .
P1 P 0.52398(10) 0.22290(5) 0.37163(8) 0.0265(3) Uani 1 1 d . . . . .
C1 C 0.4317(4) 0.26681(18) 0.3754(3) 0.0270(11) Uani 1 1 d . . . . .
N2 N 0.4544(3) 0.17538(14) 0.3401(3) 0.0284(9) Uani 1 1 d . . . . .
C26 C 0.0607(4) 0.27151(18) 0.2888(3) 0.0293(11) Uani 1 1 d . . . . .
C28 C -0.0549(5) 0.3259(2) 0.1909(4) 0.0458(15) Uani 1 1 d . . . . .
H28 H -0.0880 0.3561 0.1801 0.055 Uiso 1 1 calc R . . . .
C11 C 0.6168(4) 0.2199(2) 0.4804(3) 0.0371(13) Uani 1 1 d . . . . .
C10 C 0.6989(4) 0.2392(2) 0.3189(3) 0.0362(13) Uani 1 1 d . . . . .
H10 H 0.7396 0.2239 0.3710 0.043 Uiso 1 1 calc R . . . .
C32 C 0.1208(4) 0.28751(19) 0.4737(3) 0.0338(12) Uani 1 1 d . . . . .
N3 N 0.1825(3) 0.20111(15) 0.4079(3) 0.0290(9) Uani 1 1 d . . . . .
C48 C 0.2297(4) 0.11570(18) 0.3191(3) 0.0326(12) Uani 1 1 d . . . . .
C2 C 0.4217(4) 0.31525(18) 0.3765(3) 0.0351(12) Uani 1 1 d . . . . .
H2 H 0.4713 0.3381 0.3723 0.042 Uiso 1 1 calc R . . . .
C39 C 0.1619(4) 0.13957(19) 0.5039(3) 0.0367(12) Uani 1 1 d . . . . .
H39 H 0.2358 0.1388 0.5288 0.044 Uiso 1 1 calc R . . . .
C31 C 0.0382(4) 0.2379(2) 0.2223(3) 0.0388(13) Uani 1 1 d . . . . .
H31 H 0.0697 0.2074 0.2329 0.047 Uiso 1 1 calc R . . . .
C4 C 0.2793(4) 0.28075(17) 0.3890(3) 0.0257(10) Uani 1 1 d . . . . .
C18 C 0.6020(4) 0.1261(2) 0.3308(4) 0.0420(14) Uani 1 1 d . . . . .
H18 H 0.6506 0.1449 0.3739 0.050 Uiso 1 1 calc R . . . .
N1 N 0.3450(3) 0.24580(14) 0.3838(3) 0.0251(9) Uani 1 1 d . . . . .
C5 C 0.5920(4) 0.24416(18) 0.3011(3) 0.0288(11) Uani 1 1 d . . . . .
C38 C 0.1168(4) 0.17109(19) 0.4377(3) 0.0339(12) Uani 1 1 d . . . . .
C43 C 0.0087(4) 0.1713(2) 0.4018(4) 0.0475(15) Uani 1 1 d . . . . .
H43 H -0.0251 0.1920 0.3551 0.057 Uiso 1 1 calc R . . . .
C55 C 0.3467(5) 0.0711(2) 0.4555(4) 0.0438(12) Uani 1 1 d . . . . .
C16 C 0.6209(5) 0.1801(2) 0.5297(4) 0.0479(15) Uani 1 1 d . . . . .
H16 H 0.5810 0.1530 0.5045 0.058 Uiso 1 1 calc R . . . .
C22 C 0.4286(5) 0.10727(19) 0.2450(3) 0.0381(13) Uani 1 1 d . . . . .
H22 H 0.3556 0.1131 0.2273 0.046 Uiso 1 1 calc R . . . .
C27 C 0.0138(4) 0.3156(2) 0.2730(4) 0.0375(13) Uani 1 1 d . . . . .
H27 H 0.0284 0.3387 0.3180 0.045 Uiso 1 1 calc R . . . .
C17 C 0.4955(4) 0.13661(18) 0.3066(3) 0.0307(11) Uani 1 1 d . . . . .
C37 C 0.1949(5) 0.3104(2) 0.5404(4) 0.0424(14) Uani 1 1 d . . . . .
H37 H 0.2657 0.3105 0.5425 0.051 Uiso 1 1 calc R . . . .
C49 C 0.1328(5) 0.1094(2) 0.2471(4) 0.0489(13) Uani 1 1 d . . . . .
C33 C 0.0172(5) 0.2868(2) 0.4720(4) 0.0441(14) Uani 1 1 d . . . . .
H33 H -0.0348 0.2712 0.4262 0.053 Uiso 1 1 calc R . . . .
C6 C 0.5343(4) 0.26771(19) 0.2253(3) 0.0346(12) Uani 1 1 d . . . . .
H6 H 0.4612 0.2718 0.2122 0.041 Uiso 1 1 calc R . . . .
C7 C 0.5828(4) 0.2852(2) 0.1690(4) 0.0421(14) Uani 1 1 d . . . . .
H7 H 0.5428 0.3011 0.1173 0.050 Uiso 1 1 calc R . . . .
C30 C -0.0305(4) 0.2493(2) 0.1405(4) 0.0441(14) Uani 1 1 d . . . . .
H30 H -0.0460 0.2266 0.0949 0.053 Uiso 1 1 calc R . . . .
C47 C 0.2954(4) 0.10484(17) 0.3888(3) 0.0310(11) Uani 1 1 d . . . . .
C12 C 0.6768(4) 0.2595(2) 0.5180(4) 0.0477(15) Uani 1 1 d . . . . .
H12 H 0.6756 0.2872 0.4845 0.057 Uiso 1 1 calc R . . . .
C14 C 0.7401(5) 0.2182(3) 0.6539(4) 0.067(2) Uani 1 1 d . . . . .
H14 H 0.7808 0.2175 0.7138 0.081 Uiso 1 1 calc R . . . .
C42 C -0.0507(5) 0.1403(3) 0.4353(5) 0.0599(19) Uani 1 1 d . . . . .
H42 H -0.1246 0.1408 0.4106 0.072 Uiso 1 1 calc R . . . .
C9 C 0.7469(4) 0.2563(2) 0.2620(4) 0.0457(15) Uani 1 1 d . . . . .
H9 H 0.8197 0.2518 0.2740 0.055 Uiso 1 1 calc R . . . .
C8 C 0.6885(5) 0.2798(2) 0.1875(4) 0.0459(15) Uani 1 1 d . . . . .
H8 H 0.7215 0.2923 0.1491 0.055 Uiso 1 1 calc R . . . .
C21 C 0.4651(6) 0.0697(2) 0.2086(4) 0.0525(16) Uani 1 1 d . . . . .
H21 H 0.4166 0.0502 0.1668 0.063 Uiso 1 1 calc R . . . .
C50 C 0.1132(6) 0.1303(2) 0.1650(4) 0.0581(14) Uani 1 1 d . . . . .
H50 H 0.1651 0.1498 0.1548 0.070 Uiso 1 1 calc R . . . .
C35 C 0.0644(6) 0.3324(2) 0.6023(5) 0.062(2) Uani 1 1 d . . . . .
H35 H 0.0447 0.3483 0.6460 0.075 Uiso 1 1 calc R . . . .
C13 C 0.7385(5) 0.2578(3) 0.6056(5) 0.066(2) Uani 1 1 d . . . . .
H13 H 0.7796 0.2845 0.6317 0.080 Uiso 1 1 calc R . . . .
C29 C -0.0759(4) 0.2934(2) 0.1253(4) 0.0451(15) Uani 1 1 d . . . . .
H29 H -0.1219 0.3013 0.0691 0.054 Uiso 1 1 calc R . . . .
C34 C -0.0089(6) 0.3089(2) 0.5374(5) 0.0573(18) Uani 1 1 d . . . . .
H34 H -0.0790 0.3077 0.5372 0.069 Uiso 1 1 calc R . . . .
C20 C 0.5715(6) 0.0597(2) 0.2318(5) 0.0575(18) Uani 1 1 d D . . . .
C40 C 0.1030(5) 0.1091(2) 0.5352(4) 0.0490(15) Uani 1 1 d . . . . .
H40 H 0.1373 0.0874 0.5803 0.059 Uiso 1 1 calc R . . . .
C41 C -0.0047(6) 0.1093(2) 0.5025(5) 0.0560(17) Uani 1 1 d . . . . .
C19 C 0.6378(6) 0.0885(2) 0.2928(5) 0.0557(18) Uani 1 1 d . . . . .
H19 H 0.7107 0.0828 0.3098 0.067 Uiso 1 1 calc R . . . .
C56 C 0.4271(5) 0.0838(3) 0.5284(4) 0.0578(14) Uani 1 1 d . . . . .
H56 H 0.4502 0.1158 0.5353 0.069 Uiso 1 1 calc R . . . .
C3 C 0.3239(4) 0.32445(19) 0.3851(3) 0.0363(12) Uani 1 1 d . . . . .
H3 H 0.2942 0.3547 0.3877 0.044 Uiso 1 1 calc R . . . .
C60 C 0.3142(6) 0.0239(2) 0.4474(5) 0.0630(15) Uani 1 1 d . . . . .
H60 H 0.2583 0.0143 0.3976 0.076 Uiso 1 1 calc R . . . .
C59 C 0.3622(6) -0.0093(3) 0.5109(5) 0.0747(17) Uani 1 1 d . U . . .
H59 H 0.3395 -0.0413 0.5045 0.090 Uiso 1 1 calc R . . . .
C23A C 0.6186(9) 0.0179(3) 0.1964(6) 0.065(3) Uani 0.678(13) 1 d D U P A 3
H23A H 0.5672 -0.0083 0.1908 0.078 Uiso 0.678(13) 1 calc R . P A 3
C15 C 0.6827(5) 0.1794(3) 0.6158(4) 0.065(2) Uani 1 1 d . . . . .
H15 H 0.6856 0.1516 0.6492 0.078 Uiso 1 1 calc R . . . .
C36 C 0.1669(6) 0.3334(2) 0.6049(4) 0.0560(17) Uani 1 1 d . . . . .
H36 H 0.2180 0.3497 0.6504 0.067 Uiso 1 1 calc R . . . .
C44A C -0.0720(7) 0.0762(3) 0.5357(6) 0.082(3) Uani 0.574(16) 1 d . . P B 1
H44A H -0.1263 0.0613 0.4850 0.098 Uiso 0.574(16) 1 calc R . P B 1
C54 C 0.0519(6) 0.0836(3) 0.2613(6) 0.0730(17) Uani 1 1 d . . . . .
H54 H 0.0608 0.0701 0.3167 0.088 Uiso 1 1 calc R . . . .
C51 C 0.0205(7) 0.1231(3) 0.0992(6) 0.0825(18) Uani 1 1 d . U . . .
H51 H 0.0106 0.1352 0.0427 0.099 Uiso 1 1 calc R . . . .
C58 C 0.4416(7) 0.0045(3) 0.5818(5) 0.0760(17) Uani 1 1 d . U . . .
H58 H 0.4746 -0.0183 0.6251 0.091 Uiso 1 1 calc R . . . .
C52 C -0.0551(8) 0.0991(3) 0.1152(7) 0.096(2) Uani 1 1 d . U . . .
H52 H -0.1207 0.0966 0.0704 0.115 Uiso 1 1 calc R . . . .
C53 C -0.0435(7) 0.0778(3) 0.1923(7) 0.095(2) Uani 1 1 d . U . . .
H53 H -0.0983 0.0594 0.2000 0.114 Uiso 1 1 calc R . . . .
C57 C 0.4756(6) 0.0508(3) 0.5927(5) 0.0731(16) Uani 1 1 d . U . . .
H57 H 0.5311 0.0601 0.6431 0.088 Uiso 1 1 calc R . . . .
C46A C -0.1244(9) 0.1033(4) 0.5881(7) 0.116(4) Uani 0.574(16) 1 d . U P B 1
H46A H -0.0716 0.1182 0.6375 0.174 Uiso 0.574(16) 1 calc GR . P B 1
H46B H -0.1670 0.0816 0.6095 0.174 Uiso 0.574(16) 1 calc GR . P B 1
H46C H -0.1692 0.1278 0.5518 0.174 Uiso 0.574(16) 1 calc GR . P B 1
C45A C -0.0141(13) 0.0374(5) 0.5981(11) 0.091(6) Uani 0.574(16) 1 d . U P B 1
H45A H 0.0279 0.0517 0.6533 0.136 Uiso 0.574(16) 1 calc GR . P B 1
H45B H 0.0317 0.0202 0.5727 0.136 Uiso 0.574(16) 1 calc GR . P B 1
H45C H -0.0646 0.0153 0.6082 0.136 Uiso 0.574(16) 1 calc GR . P B 1
C24A C 0.7212(12) -0.0025(6) 0.2589(10) 0.133(6) Uani 0.678(13) 1 d D U P A 3
H24A H 0.7748 0.0223 0.2740 0.199 Uiso 0.678(13) 1 calc GR . P A 3
H24B H 0.7445 -0.0289 0.2306 0.199 Uiso 0.678(13) 1 calc GR . P A 3
H24C H 0.7097 -0.0140 0.3118 0.199 Uiso 0.678(13) 1 calc GR . P A 3
C25A C 0.6067(16) 0.0302(6) 0.1009(7) 0.109(5) Uani 0.678(13) 1 d D U P A 3
H25A H 0.5326 0.0340 0.0674 0.163 Uiso 0.678(13) 1 calc GR . P A 3
H25B H 0.6362 0.0046 0.0757 0.163 Uiso 0.678(13) 1 calc GR . P A 3
H25C H 0.6438 0.0598 0.0992 0.163 Uiso 0.678(13) 1 calc GR . P A 3
C2S C 0.1789(8) -0.0192(4) 0.1878(7) 0.180(4) Uani 1 1 d . . . . .
H2S H 0.1357 -0.0077 0.2189 0.216 Uiso 1 1 calc R . . . .
C3S C 0.2661(9) -0.0466(4) 0.2299(5) 0.167(4) Uani 1 1 d G . . . .
H3S H 0.2824 -0.0539 0.2898 0.201 Uiso 1 1 calc R . . . .
C4S C 0.3293(7) -0.0634(3) 0.1842(7) 0.168(4) Uani 1 1 d G . . . .
H4S H 0.3888 -0.0821 0.2130 0.202 Uiso 1 1 calc R . . . .
C5S C 0.3054(8) -0.0528(4) 0.0965(7) 0.174(4) Uani 1 1 d G . . . .
H5S H 0.3486 -0.0643 0.0653 0.209 Uiso 1 1 calc R . . . .
C6S C 0.2182(9) -0.0254(4) 0.0544(5) 0.191(5) Uani 1 1 d G . . . .
H6S H 0.2019 -0.0181 -0.0055 0.230 Uiso 1 1 calc R . . . .
C1S C 0.1550(7) -0.0086(4) 0.1000(7) 0.196(5) Uani 1 1 d G . . . .
H1S H 0.0954 0.0102 0.0713 0.235 Uiso 1 1 calc R . . . .
C10S C 0.2172(12) 0.0805(4) -0.0136(6) 0.208(5) Uani 1 1 d . . . . .
H10S H 0.2298 0.0690 0.0437 0.250 Uiso 1 1 calc R . . . .
C11S C 0.2942(9) 0.1057(4) -0.0337(8) 0.208(5) Uani 1 1 d G . . . .
H11S H 0.3596 0.1115 0.0099 0.250 Uiso 1 1 calc R . . . .
C12S C 0.2757(10) 0.1226(3) -0.1176(10) 0.202(5) Uani 1 1 d G . . . .
H12S H 0.3284 0.1399 -0.1313 0.242 Uiso 1 1 calc R . . . .
C7S C 0.1801(12) 0.1142(4) -0.1814(6) 0.186(5) Uani 1 1 d G . . . .
H7S H 0.1674 0.1257 -0.2388 0.223 Uiso 1 1 calc R . . . .
C8S C 0.1030(8) 0.0890(4) -0.1614(8) 0.192(5) Uani 1 1 d G . . . .
H8S H 0.0377 0.0832 -0.2050 0.230 Uiso 1 1 calc R . . . .
C9S C 0.1216(10) 0.0721(4) -0.0775(9) 0.204(5) Uani 1 1 d G . . . .
H9S H 0.0689 0.0548 -0.0637 0.245 Uiso 1 1 calc R . . . .
C45B C -0.1166(17) 0.0370(8) 0.4659(16) 0.098(8) Uani 0.426(16) 1 d . U P B 2
H45D H -0.1774 0.0494 0.4197 0.147 Uiso 0.426(16) 1 calc GR . P B 2
H45E H -0.1375 0.0094 0.4930 0.147 Uiso 0.426(16) 1 calc GR . P B 2
H45F H -0.0629 0.0274 0.4411 0.147 Uiso 0.426(16) 1 calc GR . P B 2
C44B C -0.0720(7) 0.0762(3) 0.5357(6) 0.082(3) Uani 0.426(16) 1 d . . P B 2
H44B H -0.0179 0.0582 0.5819 0.098 Uiso 0.426(16) 1 calc R . P B 2
C46B C -0.1244(9) 0.1033(4) 0.5881(7) 0.116(4) Uani 0.426(16) 1 d . U P B 2
H46D H -0.0795 0.1037 0.6491 0.174 Uiso 0.426(16) 1 calc GR . P B 2
H46E H -0.1910 0.0881 0.5835 0.174 Uiso 0.426(16) 1 calc GR . P B 2
H46F H -0.1372 0.1358 0.5663 0.174 Uiso 0.426(16) 1 calc GR . P B 2
C24B C 0.629(3) -0.0242(11) 0.230(2) 0.134(8) Uani 0.322(13) 1 d D U P A 4
H24D H 0.6710 -0.0130 0.2884 0.202 Uiso 0.322(13) 1 calc GR . P A 4
H24E H 0.6743 -0.0420 0.2048 0.202 Uiso 0.322(13) 1 calc GR . P A 4
H24F H 0.5735 -0.0449 0.2350 0.202 Uiso 0.322(13) 1 calc GR . P A 4
C25B C 0.672(3) 0.0311(13) 0.138(3) 0.106(7) Uani 0.322(13) 1 d D U P A 4
H25D H 0.6573 0.0611 0.1058 0.159 Uiso 0.322(13) 1 calc GR . P A 4
H25E H 0.6805 0.0058 0.0997 0.159 Uiso 0.322(13) 1 calc GR . P A 4
H25F H 0.7371 0.0343 0.1874 0.159 Uiso 0.322(13) 1 calc GR . P A 4
C23B C 0.581(2) 0.0188(6) 0.1718(14) 0.066(4) Uani 0.322(13) 1 d D U P A 4
H23B H 0.5145 0.0113 0.1245 0.080 Uiso 0.322(13) 1 calc R . P A 4


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N2 2.166(4) . ?
Rh1 N3 2.128(4) . ?
Rh1 C48 2.083(5) . ?
Rh1 N1 1.976(4) . ?
Rh1 C47 2.091(5) . ?
P2 C26 1.809(5) . ?
P2 C32 1.805(5) . ?
P2 N3 1.610(4) . ?
P2 C4 1.781(5) . ?
P1 C1 1.776(5) . ?
P1 N2 1.623(4) . ?
P1 C11 1.807(5) . ?
P1 C5 1.797(5) . ?
C1 C2 1.373(7) . ?
C1 N1 1.365(6) . ?
N2 C17 1.416(6) . ?
C26 C31 1.397(7) . ?
C26 C27 1.383(7) . ?
C28 H28 0.9500 . ?
C28 C27 1.387(8) . ?
C28 C29 1.365(9) . ?
C11 C16 1.369(8) . ?
C11 C12 1.401(8) . ?
C10 H10 0.9500 . ?
C10 C5 1.390(7) . ?
C10 C9 1.383(7) . ?
C32 C37 1.375(8) . ?
C32 C33 1.398(8) . ?
N3 C38 1.426(6) . ?
C48 C49 1.457(8) . ?
C48 C47 1.229(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.403(7) . ?
C39 H39 0.9500 . ?
C39 C38 1.376(8) . ?
C39 C40 1.382(8) . ?
C31 H31 0.9500 . ?
C31 C30 1.391(8) . ?
C4 N1 1.349(6) . ?
C4 C3 1.383(7) . ?
C18 H18 0.9500 . ?
C18 C17 1.398(7) . ?
C18 C19 1.393(8) . ?
C5 C6 1.394(7) . ?
C38 C43 1.389(8) . ?
C43 H43 0.9500 . ?
C43 C42 1.413(9) . ?
C55 C47 1.440(7) . ?
C55 C56 1.369(9) . ?
C55 C60 1.394(9) . ?
C16 H16 0.9500 . ?
C16 C15 1.377(9) . ?
C22 H22 0.9500 . ?
C22 C17 1.384(7) . ?
C22 C21 1.384(8) . ?
C27 H27 0.9500 . ?
C37 H37 0.9500 . ?
C37 C36 1.389(8) . ?
C49 C50 1.406(9) . ?
C49 C54 1.396(10) . ?
C33 H33 0.9500 . ?
C33 C34 1.376(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.373(8) . ?
C30 H30 0.9500 . ?
C30 C29 1.373(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(9) . ?
C14 H14 0.9500 . ?
C14 C13 1.364(11) . ?
C14 C15 1.365(11) . ?
C42 H42 0.9500 . ?
C42 C41 1.379(10) . ?
C9 H9 0.9500 . ?
C9 C8 1.381(8) . ?
C8 H8 0.9500 . ?
C21 H21 0.9500 . ?
C21 C20 1.396(9) . ?
C50 H50 0.9500 . ?
C50 C51 1.373(10) . ?
C35 H35 0.9500 . ?
C35 C34 1.363(10) . ?
C35 C36 1.378(10) . ?
C13 H13 0.9500 . ?
C29 H29 0.9500 . ?
C34 H34 0.9500 . ?
C20 C19 1.368(10) . ?
C20 C23A 1.539(5) . ?
C20 C23B 1.544(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.380(9) . ?
C41 C44A 1.525(9) . ?
C19 H19 0.9500 . ?
C56 H56 0.9500 . ?
C56 C57 1.395(10) . ?
C3 H3 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.388(10) . ?
C59 H59 0.9500 . ?
C59 C58 1.352(11) . ?
C23A H23A 1.0000 . ?
C23A C24A 1.541(5) . ?
C23A C25A 1.549(5) . ?
C15 H15 0.9500 . ?
C36 H36 0.9500 . ?
C44A H44A 1.0000 . ?
C44A C46A 1.489(13) . ?
C44A C45A 1.523(17) . ?
C54 H54 0.9500 . ?
C54 C53 1.417(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.325(12) . ?
C58 H58 0.9500 . ?
C58 C57 1.377(11) . ?
C52 H52 0.9500 . ?
C52 C53 1.352(13) . ?
C53 H53 0.9500 . ?
C57 H57 0.9500 . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C2S H2S 0.9500 . ?
C2S C3S 1.3900 . ?
C2S C1S 1.3900 . ?
C3S H3S 0.9500 . ?
C3S C4S 1.3900 . ?
C4S H4S 0.9500 . ?
C4S C5S 1.3900 . ?
C5S H5S 0.9500 . ?
C5S C6S 1.3900 . ?
C6S H6S 0.9500 . ?
C6S C1S 1.3900 . ?
C1S H1S 0.9500 . ?
C10S H10S 0.9500 . ?
C10S C11S 1.3900 . ?
C10S C9S 1.3900 . ?
C11S H11S 0.9500 . ?
C11S C12S 1.3900 . ?
C12S H12S 0.9500 . ?
C12S C7S 1.3900 . ?
C7S H7S 0.9500 . ?
C7S C8S 1.3900 . ?
C8S H8S 0.9500 . ?
C8S C9S 1.3900 . ?
C9S H9S 0.9500 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C24B C23B 1.550(5) . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C25B C23B 1.548(5) . ?
C23B H23B 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Rh1 N2 162.91(16) . . ?
C48 Rh1 N2 106.25(18) . . ?
C48 Rh1 N3 90.29(18) . . ?
C48 Rh1 C47 34.3(2) . . ?
N1 Rh1 N2 81.63(15) . . ?
N1 Rh1 N3 81.34(16) . . ?
N1 Rh1 C48 159.07(19) . . ?
N1 Rh1 C47 165.88(19) . . ?
C47 Rh1 N2 98.24(17) . . ?
C47 Rh1 N3 97.91(17) . . ?
C32 P2 C26 105.9(2) . . ?
N3 P2 C26 115.0(2) . . ?
N3 P2 C32 115.8(2) . . ?
N3 P2 C4 103.8(2) . . ?
C4 P2 C26 107.1(2) . . ?
C4 P2 C32 108.9(2) . . ?
C1 P1 C11 105.7(2) . . ?
C1 P1 C5 107.8(2) . . ?
N2 P1 C1 104.1(2) . . ?
N2 P1 C11 114.6(2) . . ?
N2 P1 C5 116.1(2) . . ?
C5 P1 C11 107.7(2) . . ?
C2 C1 P1 140.2(4) . . ?
N1 C1 P1 110.0(3) . . ?
N1 C1 C2 109.8(4) . . ?
P1 N2 Rh1 112.3(2) . . ?
C17 N2 Rh1 127.5(3) . . ?
C17 N2 P1 119.8(3) . . ?
C31 C26 P2 117.9(4) . . ?
C27 C26 P2 122.1(4) . . ?
C27 C26 C31 119.8(5) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C29 C28 C27 121.1(6) . . ?
C16 C11 P1 119.7(5) . . ?
C16 C11 C12 119.4(5) . . ?
C12 C11 P1 120.6(5) . . ?
C5 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C5 121.0(5) . . ?
C37 C32 P2 120.0(4) . . ?
C37 C32 C33 119.4(5) . . ?
C33 C32 P2 120.6(4) . . ?
P2 N3 Rh1 113.3(2) . . ?
C38 N3 Rh1 125.0(3) . . ?
C38 N3 P2 121.6(3) . . ?
C49 C48 Rh1 130.0(4) . . ?
C47 C48 Rh1 73.2(3) . . ?
C47 C48 C49 154.3(5) . . ?
C1 C2 H2 126.7 . . ?
C1 C2 C3 106.6(5) . . ?
C3 C2 H2 126.7 . . ?
C38 C39 H39 119.0 . . ?
C38 C39 C40 122.0(6) . . ?
C40 C39 H39 119.0 . . ?
C26 C31 H31 120.3 . . ?
C30 C31 C26 119.5(5) . . ?
C30 C31 H31 120.3 . . ?
N1 C4 P2 110.8(3) . . ?
N1 C4 C3 109.9(4) . . ?
C3 C4 P2 139.2(4) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C19 C18 C17 121.0(6) . . ?
C1 N1 Rh1 126.3(3) . . ?
C4 N1 Rh1 125.6(3) . . ?
C4 N1 C1 107.3(4) . . ?
C10 C5 P1 123.6(4) . . ?
C10 C5 C6 118.4(5) . . ?
C6 C5 P1 118.0(4) . . ?
C39 C38 N3 119.0(5) . . ?
C39 C38 C43 117.9(5) . . ?
C43 C38 N3 123.1(5) . . ?
C38 C43 H43 120.3 . . ?
C38 C43 C42 119.5(6) . . ?
C42 C43 H43 120.3 . . ?
C56 C55 C47 122.1(6) . . ?
C56 C55 C60 118.0(6) . . ?
C60 C55 C47 120.0(6) . . ?
C11 C16 H16 119.9 . . ?
C11 C16 C15 120.2(7) . . ?
C15 C16 H16 119.9 . . ?
C17 C22 H22 119.1 . . ?
C17 C22 C21 121.8(6) . . ?
C21 C22 H22 119.1 . . ?
C26 C27 C28 119.3(5) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C18 C17 N2 123.8(5) . . ?
C22 C17 N2 119.5(5) . . ?
C22 C17 C18 116.7(5) . . ?
C32 C37 H37 119.8 . . ?
C32 C37 C36 120.5(6) . . ?
C36 C37 H37 119.8 . . ?
C50 C49 C48 123.5(6) . . ?
C54 C49 C48 118.7(6) . . ?
C54 C49 C50 117.6(6) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 C32 119.4(6) . . ?
C34 C33 H33 120.3 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.5(5) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(5) . . ?
C8 C7 H7 119.9 . . ?
C31 C30 H30 119.9 . . ?
C29 C30 C31 120.2(5) . . ?
C29 C30 H30 119.9 . . ?
C48 C47 Rh1 72.5(3) . . ?
C48 C47 C55 152.3(6) . . ?
C55 C47 Rh1 135.2(4) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.1(7) . . ?
C13 C12 H12 120.4 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(6) . . ?
C15 C14 H14 120.2 . . ?
C43 C42 H42 118.9 . . ?
C41 C42 C43 122.1(6) . . ?
C41 C42 H42 118.9 . . ?
C10 C9 H9 120.2 . . ?
C8 C9 C10 119.7(5) . . ?
C8 C9 H9 120.2 . . ?
C7 C8 C9 120.2(5) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C22 C21 H21 119.2 . . ?
C22 C21 C20 121.5(6) . . ?
C20 C21 H21 119.2 . . ?
C49 C50 H50 119.4 . . ?
C51 C50 C49 121.2(7) . . ?
C51 C50 H50 119.4 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.3(6) . . ?
C36 C35 H35 119.8 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.5(7) . . ?
C14 C13 H13 119.8 . . ?
C28 C29 C30 120.1(5) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C33 C34 H34 119.6 . . ?
C35 C34 C33 120.9(6) . . ?
C35 C34 H34 119.6 . . ?
C21 C20 C23A 125.0(8) . . ?
C21 C20 C23B 106.0(11) . . ?
C19 C20 C21 116.8(5) . . ?
C19 C20 C23A 118.2(7) . . ?
C19 C20 C23B 137.0(11) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 C39 121.4(6) . . ?
C41 C40 H40 119.3 . . ?
C42 C41 C40 117.1(6) . . ?
C42 C41 C44A 120.2(7) . . ?
C40 C41 C44A 122.7(7) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 C18 122.3(6) . . ?
C20 C19 H19 118.9 . . ?
C55 C56 H56 119.3 . . ?
C55 C56 C57 121.4(7) . . ?
C57 C56 H56 119.3 . . ?
C2 C3 H3 126.8 . . ?
C4 C3 C2 106.4(5) . . ?
C4 C3 H3 126.8 . . ?
C55 C60 H60 119.4 . . ?
C59 C60 C55 121.2(7) . . ?
C59 C60 H60 119.4 . . ?
C60 C59 H59 120.3 . . ?
C58 C59 C60 119.3(8) . . ?
C58 C59 H59 120.3 . . ?
C20 C23A H23A 103.6 . . ?
C20 C23A C24A 115.8(9) . . ?
C20 C23A C25A 106.6(8) . . ?
C24A C23A H23A 103.6 . . ?
C24A C23A C25A 121.4(12) . . ?
C25A C23A H23A 103.6 . . ?
C16 C15 H15 119.4 . . ?
C14 C15 C16 121.1(7) . . ?
C14 C15 H15 119.4 . . ?
C37 C36 H36 120.3 . . ?
C35 C36 C37 119.4(6) . . ?
C35 C36 H36 120.3 . . ?
C41 C44A H44A 109.1 . . ?
C46A C44A C41 110.1(7) . . ?
C46A C44A H44A 109.1 . . ?
C46A C44A C45A 103.0(10) . . ?
C45A C44A C41 116.0(9) . . ?
C45A C44A H44A 109.1 . . ?
C49 C54 H54 120.3 . . ?
C49 C54 C53 119.4(8) . . ?
C53 C54 H54 120.3 . . ?
C50 C51 H51 120.3 . . ?
C52 C51 C50 119.5(9) . . ?
C52 C51 H51 120.3 . . ?
C59 C58 H58 119.3 . . ?
C59 C58 C57 121.4(8) . . ?
C57 C58 H58 119.3 . . ?
C51 C52 H52 118.4 . . ?
C51 C52 C53 123.2(10) . . ?
C53 C52 H52 118.4 . . ?
C54 C53 H53 120.6 . . ?
C52 C53 C54 118.9(9) . . ?
C52 C53 H53 120.6 . . ?
C56 C57 H57 120.6 . . ?
C58 C57 C56 118.8(8) . . ?
C58 C57 H57 120.6 . . ?
C44A C46A H46A 109.5 . . ?
C44A C46A H46B 109.5 . . ?
C44A C46A H46C 109.5 . . ?
H46A C46A H46B 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C44A C45A H45A 109.5 . . ?
C44A C45A H45B 109.5 . . ?
C44A C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C23A C25A H25A 109.5 . . ?
C23A C25A H25B 109.5 . . ?
C23A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C3S C2S H2S 120.0 . . ?
C3S C2S C1S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C1S C6S C5S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C6S C1S C2S 120.0 . . ?
C6S C1S H1S 120.0 . . ?
C11S C10S H10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C9S C10S H10S 120.0 . . ?
C10S C11S H11S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C12S C11S H11S 120.0 . . ?
C11S C12S H12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?
C7S C12S H12S 120.0 . . ?
C12S C7S H7S 120.0 . . ?
C12S C7S C8S 120.0 . . ?
C8S C7S H7S 120.0 . . ?
C7S C8S H8S 120.0 . . ?
C9S C8S C7S 120.0 . . ?
C9S C8S H8S 120.0 . . ?
C10S C9S H9S 120.0 . . ?
C8S C9S C10S 120.0 . . ?
C8S C9S H9S 120.0 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C23B C25B H25D 109.5 . . ?
C23B C25B H25E 109.5 . . ?
C23B C25B H25F 109.5 . . ?
C20 C23B C24B 107.5(18) . . ?
C20 C23B C25B 107.6(17) . . ?
C20 C23B H23B 113.6 . . ?
C24B C23B H23B 113.6 . . ?
C25B C23B C24B 100(2) . . ?
C25B C23B H23B 113.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N2 C17 C18 -143.1(4) . . . . ?
Rh1 N2 C17 C22 38.1(6) . . . . ?
Rh1 N3 C38 C39 51.2(6) . . . . ?
Rh1 N3 C38 C43 -127.3(5) . . . . ?
Rh1 C48 C49 C50 49.5(8) . . . . ?
Rh1 C48 C49 C54 -126.4(6) . . . . ?
Rh1 C48 C47 C55 179.2(11) . . . . ?
P2 C26 C31 C30 -174.8(4) . . . . ?
P2 C26 C27 C28 175.1(4) . . . . ?
P2 C32 C37 C36 -178.9(5) . . . . ?
P2 C32 C33 C34 177.5(5) . . . . ?
P2 N3 C38 C39 -134.3(4) . . . . ?
P2 N3 C38 C43 47.2(7) . . . . ?
P2 C4 N1 Rh1 5.0(5) . . . . ?
P2 C4 N1 C1 175.3(3) . . . . ?
P2 C4 C3 C2 -174.1(5) . . . . ?
P1 C1 C2 C3 -176.6(5) . . . . ?
P1 C1 N1 Rh1 -11.6(5) . . . . ?
P1 C1 N1 C4 178.2(3) . . . . ?
P1 N2 C17 C18 28.9(7) . . . . ?
P1 N2 C17 C22 -149.9(4) . . . . ?
P1 C11 C16 C15 -172.6(5) . . . . ?
P1 C11 C12 C13 172.3(5) . . . . ?
P1 C5 C6 C7 179.4(4) . . . . ?
C1 P1 N2 Rh1 -24.4(3) . . . . ?
C1 P1 N2 C17 162.4(4) . . . . ?
C1 P1 C11 C16 111.7(5) . . . . ?
C1 P1 C11 C12 -61.5(5) . . . . ?
C1 P1 C5 C10 138.4(5) . . . . ?
C1 P1 C5 C6 -40.3(5) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
N2 P1 C1 C2 -161.4(6) . . . . ?
N2 P1 C1 N1 22.7(4) . . . . ?
N2 P1 C11 C16 -2.4(5) . . . . ?
N2 P1 C11 C12 -175.6(4) . . . . ?
N2 P1 C5 C10 -105.4(5) . . . . ?
N2 P1 C5 C6 75.9(5) . . . . ?
C26 P2 C32 C37 -137.1(5) . . . . ?
C26 P2 C32 C33 45.2(5) . . . . ?
C26 P2 N3 Rh1 94.2(3) . . . . ?
C26 P2 N3 C38 -80.9(4) . . . . ?
C26 P2 C4 N1 -109.9(4) . . . . ?
C26 P2 C4 C3 64.6(6) . . . . ?
C26 C31 C30 C29 -0.1(9) . . . . ?
C11 P1 C1 C2 77.4(6) . . . . ?
C11 P1 C1 N1 -98.5(4) . . . . ?
C11 P1 N2 Rh1 90.6(3) . . . . ?
C11 P1 N2 C17 -82.6(4) . . . . ?
C11 P1 C5 C10 24.7(5) . . . . ?
C11 P1 C5 C6 -154.0(4) . . . . ?
C11 C16 C15 C14 0.7(10) . . . . ?
C11 C12 C13 C14 -0.1(10) . . . . ?
C10 C5 C6 C7 0.6(8) . . . . ?
C10 C9 C8 C7 -1.7(10) . . . . ?
C32 P2 C26 C31 -149.2(4) . . . . ?
C32 P2 C26 C27 35.4(5) . . . . ?
C32 P2 N3 Rh1 -141.7(2) . . . . ?
C32 P2 N3 C38 43.2(5) . . . . ?
C32 P2 C4 N1 136.0(3) . . . . ?
C32 P2 C4 C3 -49.5(6) . . . . ?
C32 C37 C36 C35 1.1(10) . . . . ?
C32 C33 C34 C35 1.7(10) . . . . ?
N3 P2 C26 C31 -20.1(5) . . . . ?
N3 P2 C26 C27 164.6(4) . . . . ?
N3 P2 C32 C37 94.2(5) . . . . ?
N3 P2 C32 C33 -83.5(5) . . . . ?
N3 P2 C4 N1 12.1(4) . . . . ?
N3 P2 C4 C3 -173.4(6) . . . . ?
N3 C38 C43 C42 179.9(5) . . . . ?
C48 C49 C50 C51 179.9(6) . . . . ?
C48 C49 C54 C53 178.9(7) . . . . ?
C2 C1 N1 Rh1 171.2(3) . . . . ?
C2 C1 N1 C4 1.0(5) . . . . ?
C39 C38 C43 C42 1.4(9) . . . . ?
C39 C40 C41 C42 2.1(10) . . . . ?
C39 C40 C41 C44A -179.9(6) . . . . ?
C31 C26 C27 C28 -0.2(8) . . . . ?
C31 C30 C29 C28 -1.0(9) . . . . ?
C4 P2 C26 C31 94.7(4) . . . . ?
C4 P2 C26 C27 -80.7(5) . . . . ?
C4 P2 C32 C37 -22.3(5) . . . . ?
C4 P2 C32 C33 160.1(4) . . . . ?
C4 P2 N3 Rh1 -22.4(3) . . . . ?
C4 P2 N3 C38 162.5(4) . . . . ?
N1 C1 C2 C3 -0.7(6) . . . . ?
N1 C4 C3 C2 0.4(6) . . . . ?
C5 P1 C1 C2 -37.6(7) . . . . ?
C5 P1 C1 N1 146.5(3) . . . . ?
C5 P1 N2 Rh1 -142.6(2) . . . . ?
C5 P1 N2 C17 44.2(4) . . . . ?
C5 P1 C11 C16 -133.3(5) . . . . ?
C5 P1 C11 C12 53.5(5) . . . . ?
C5 C10 C9 C8 2.0(9) . . . . ?
C5 C6 C7 C8 -0.3(9) . . . . ?
C38 C39 C40 C41 -1.2(9) . . . . ?
C38 C43 C42 C41 -0.5(10) . . . . ?
C43 C42 C41 C40 -1.3(10) . . . . ?
C43 C42 C41 C44A -179.3(7) . . . . ?
C55 C56 C57 C58 0.2(11) . . . . ?
C55 C60 C59 C58 0.2(12) . . . . ?
C16 C11 C12 C13 -0.9(9) . . . . ?
C22 C21 C20 C19 0.6(9) . . . . ?
C22 C21 C20 C23A 178.4(7) . . . . ?
C22 C21 C20 C23B -174.8(10) . . . . ?
C27 C26 C31 C30 0.6(8) . . . . ?
C27 C28 C29 C30 1.4(9) . . . . ?
C17 C18 C19 C20 -1.3(10) . . . . ?
C17 C22 C21 C20 -0.4(9) . . . . ?
C37 C32 C33 C34 -0.2(9) . . . . ?
C49 C48 C47 Rh1 -157.3(12) . . . . ?
C49 C48 C47 C55 22(2) . . . . ?
C49 C50 C51 C52 5.3(12) . . . . ?
C49 C54 C53 C52 -2.6(13) . . . . ?
C33 C32 C37 C36 -1.2(9) . . . . ?
C6 C7 C8 C9 0.9(9) . . . . ?
C47 C48 C49 C50 -159.4(11) . . . . ?
C47 C48 C49 C54 24.8(15) . . . . ?
C47 C55 C56 C57 179.6(6) . . . . ?
C47 C55 C60 C59 -179.8(6) . . . . ?
C12 C11 C16 C15 0.7(9) . . . . ?
C42 C41 C44A C46A -74.4(10) . . . . ?
C42 C41 C44A C45A 169.1(10) . . . . ?
C9 C10 C5 P1 179.9(5) . . . . ?
C9 C10 C5 C6 -1.5(8) . . . . ?
C21 C22 C17 N2 178.3(5) . . . . ?
C21 C22 C17 C18 -0.6(8) . . . . ?
C21 C20 C19 C18 0.3(10) . . . . ?
C21 C20 C23A C24A -149.3(11) . . . . ?
C21 C20 C23A C25A 72.4(14) . . . . ?
C21 C20 C23B C24B -118.0(19) . . . . ?
C21 C20 C23B C25B 135(2) . . . . ?
C50 C49 C54 C53 2.8(11) . . . . ?
C50 C51 C52 C53 -5.1(15) . . . . ?
C13 C14 C15 C16 -1.7(10) . . . . ?
C29 C28 C27 C26 -0.8(9) . . . . ?
C34 C35 C36 C37 0.4(11) . . . . ?
C40 C39 C38 N3 -179.2(5) . . . . ?
C40 C39 C38 C43 -0.6(8) . . . . ?
C40 C41 C44A C46A 107.7(9) . . . . ?
C40 C41 C44A C45A -8.8(13) . . . . ?
C19 C18 C17 N2 -177.4(5) . . . . ?
C19 C18 C17 C22 1.5(8) . . . . ?
C19 C20 C23A C24A 28.4(14) . . . . ?
C19 C20 C23A C25A -109.9(12) . . . . ?
C19 C20 C23B C24B 68(2) . . . . ?
C19 C20 C23B C25B -39(3) . . . . ?
C56 C55 C47 Rh1 -0.8(9) . . . . ?
C56 C55 C47 C48 -179.8(9) . . . . ?
C56 C55 C60 C59 -0.5(10) . . . . ?
C3 C4 N1 Rh1 -171.2(3) . . . . ?
C3 C4 N1 C1 -0.8(5) . . . . ?
C60 C55 C47 Rh1 178.5(5) . . . . ?
C60 C55 C47 C48 -0.4(14) . . . . ?
C60 C55 C56 C57 0.3(10) . . . . ?
C60 C59 C58 C57 0.3(13) . . . . ?
C59 C58 C57 C56 -0.5(12) . . . . ?
C23A C20 C19 C18 -177.6(7) . . . . ?
C23A C20 C23B C24B 45(3) . . . . ?
C23A C20 C23B C25B -61(3) . . . . ?
C15 C14 C13 C12 1.5(10) . . . . ?
C36 C35 C34 C33 -1.8(11) . . . . ?
C54 C49 C50 C51 -4.3(10) . . . . ?
C51 C52 C53 C54 3.7(15) . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C2S C1S C6S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C5S C6S C1S C2S 0.0 . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C10S C11S C12S C7S 0.0 . . . . ?
C11S C10S C9S C8S 0.0 . . . . ?
C11S C12S C7S C8S 0.0 . . . . ?
C12S C7S C8S C9S 0.0 . . . . ?
C7S C8S C9S C10S 0.0 . . . . ?
C9S C10S C11S C12S 0.0 . . . . ?
C23B C20 C19 C18 173.9(14) . . . . ?
C23B C20 C23A C24A -169(4) . . . . ?
C23B C20 C23A C25A 53(3) . . . . ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4_ph14013_0m
_database_code_depnum_ccdc_archive 'CCDC 1034253'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-10-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C92 H90 N6 P4 Rh2, C6 H6'
_chemical_formula_sum            'C98 H96 N6 P4 Rh2'
_chemical_formula_weight         1687.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   42.986(11)
_cell_length_b                   17.237(4)
_cell_length_c                   27.577(9)
_cell_angle_alpha                90
_cell_angle_beta                 119.527(5)
_cell_angle_gamma                90
_cell_volume                     17779(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9302
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.520
_cell_measurement_theta_min      2.343
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.492
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0792 before and 0.0726 after correction.
The Ratio of minimum to maximum transmission is 0.8937.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7008
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            105476
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.498
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12225
_reflns_number_total             15648
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.848
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1139
_refine_ls_number_reflns         15648
_refine_ls_number_restraints     353
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0412
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0599P)²+19.8721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1168
_refine_special_details          
'One phosphorus phenyl group is disordered over 3 positions and was refined with occupation factors of ABOUT 0.60:0.20:0.20. Also the isopropyl group of same phosphinimine fragment is disordered over 2 positions which could be refined with occupation factor ration of 51:49. Benzene molecules were found as solvent of crystallization. Two of the molecules could be satisfactorily refined (one with full occupation and one with half) but one additional heavily disordered, partly occupied benzene molecule had to be treated with the solven masking procedure implemented in Olex2 program. All B and C level errors in CheckCIF originate from the disorders in the structure.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C5A, C5B, C5C}
{C8A, C8B, C8C}
3. Restrained distances
 C23A-C24A = C25A-C23A
 1.54 with sigma of 0.01
 C6A-C5A = C7A-C6A = C8A-C7A = C9A-C8A = C9A-C10A = C5A-C10A
 1.39 with sigma of 0.01
 C6B-C5B = C7B-C6B = C8B-C7B = C9B-C8B = C9B-C10B = C5B-C10B
 1.39 with sigma of 0.01
 C6C-C5C = C7C-C6C = C8C-C7C = C9C-C8C = C9C-C10C = C5C-C10C
 1.39 with sigma of 0.01
 C4S-C9S = C5S-C4S = C5S-C6S = C6S-C7S = C7S-C8S = C9S-C8S
 1.39 with sigma of 0.005
 N6-H6
 0.9 with sigma of 0.01
 C24A-C25A
 2.9 with sigma of 0.04
4. Restrained planarity
 C5A, C10A, C9A, C8A, C7A, C6A
 with sigma of 0.1
 C5B, C10B, C9B, C8B, C7B, C6B
 with sigma of 0.1
 C5C, C10C, C9C, C8C, C7C, C6C
 with sigma of 0.1
 C4S, C5S, C6S, C7S, C8S, C9S
 with sigma of 0.1
5. Rigid bond restraints
 C17, C18, C19, C20, C21, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C9B, C6A, C7A, C8B, C8C, C6B, C7B, C9C, C8A, C10A, C9A, C7C, C6C, C10B, C10C,
 C5A, C5C, C5B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
6. Uiso/Uaniso restraints and constraints
C7S \\sim C5S \\sim C4S \\sim C9S \\sim C8S \\sim C6S: within 1.7A with sigma
of 0.02 and sigma for terminal atoms of 0.04
C6S \\sim C5S \\sim C4S \\sim C9S \\sim C8S \\sim C7S: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of 0.003 and
sigma for terminal atoms of 0.006
Uanis(C94) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C96) \\sim Ueq: with sigma of
0.003 and sigma for terminal atoms of 0.006
Uanis(C75) \\sim Ueq, Uanis(C74) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C23B) \\sim Ueq, Uanis(C25B) \\sim Ueq, Uanis(C25A) \\sim Ueq,
Uanis(C24B) \\sim Ueq, Uanis(C23A) \\sim Ueq, Uanis(C24A) \\sim Ueq: with sigma
of 0.007 and sigma for terminal atoms of 0.014
Uanis(C5A) \\sim Ueq, Uanis(C9B) \\sim Ueq, Uanis(C6A) \\sim Ueq, Uanis(C5C)
\\sim Ueq, Uanis(C7A) \\sim Ueq, Uanis(C8B) \\sim Ueq, Uanis(C8C) \\sim Ueq,
Uanis(C6B) \\sim Ueq, Uanis(C9C) \\sim Ueq, Uanis(C5B) \\sim Ueq, Uanis(C8A)
\\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C9A) \\sim Ueq, Uanis(C7C) \\sim Ueq,
Uanis(C6C) \\sim Ueq, Uanis(C10B) \\sim Ueq, Uanis(C10C) \\sim Ueq, Uanis(C7B)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5A) = Uanis(C5B) = Uanis(C5C)
Uanis(C8A) = Uanis(C8B) = Uanis(C8C)
7. Others
 1*[Sof(C5A)+Sof(C6A)+Sof(H6A)+Sof(C7A)+Sof(H7A)+Sof(C8A)+Sof(H8A)+Sof(C10A)+
 Sof(H10A)+Sof(C9A)+Sof(H9A)]+1*[Sof(C9B)+Sof(H9B)+Sof(C8B)+Sof(H8B)+Sof(C6B)+
 Sof(H6B)+Sof(C7B)+Sof(H7B)+Sof(C5B)+Sof(C10B)+Sof(H10B)]+1*[Sof(C5C)+Sof(C8C)+
 Sof(H8C)+Sof(C9C)+Sof(H9C)+Sof(C7C)+Sof(H7C)+Sof(C6C)+Sof(H6C)+Sof(C10C)+
 Sof(H10C)]=1 with esd of 0.0001
 Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25B)=Sof(H25D)=Sof(H25E)=
 Sof(H25F)=Sof(C23B)=Sof(H23B)=1-FVAR(1)
 Sof(C23A)=Sof(H23A)=Sof(C25A)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C24A)=
 Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(1)
 Sof(C5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=Sof(H7A)=Sof(C8A)=Sof(H8A)=Sof(C10A)=
 Sof(H10A)=Sof(C9A)=Sof(H9A)=FVAR(2)
 Sof(C9B)=Sof(H9B)=Sof(C8B)=Sof(H8B)=Sof(C6B)=Sof(H6B)=Sof(C7B)=Sof(H7B)=
 Sof(C5B)=Sof(C10B)=Sof(H10B)=FVAR(3)
 Sof(C5C)=Sof(C8C)=Sof(H8C)=Sof(C9C)=Sof(H9C)=Sof(C7C)=Sof(H7C)=Sof(C6C)=
 Sof(H6C)=Sof(C10C)=Sof(H10C)=FVAR(4)
 Fixed Sof: C8S(0.5) H8S(0.5) C7S(0.5) H7S(0.5) C6S(0.5) H6S(0.5) C9S(0.5)
 H9S(0.5) C4S(0.5) H4S(0.5) C5S(0.5) H5S(0.5)
8.a Ternary CH refined with riding coordinates:
 C73(H73), C44(H44), C95(H95), C23A(H23A), C23B(H23B)
8.b Aromatic/amide H refined with riding coordinates:
 C86(H86), C53(H53), C56(H56), C39(H39), C87(H87), C27(H27), C77(H77),
 C83(H83), C68(H68), C3(H3), C62(H62), C85(H85), C40(H40), C22(H22), C15(H15),
 C31(H31), C58(H58), C43(H43), C42(H42), C33(H33), C72(H72), C60(H60), C52(H52),
  C78(H78), C57(H57), C89(H89), C71(H71), C28(H28), C37(H37), C30(H30), C2(H2),
 C18(H18), C79(H79), C81(H81), C12(H12), C80(H80), C69(H69), C66(H66), C35(H35),
  C29(H29), C84(H84), C36(H36), C21(H21), C63(H63), C65(H65), C59(H59),
 C34(H34), C19(H19), C13(H13), C16(H16), C93(H93), C64(H64), C92(H92), C90(H90),
  C14(H14), C9B(H9B), C6A(H6A), C7A(H7A), C8B(H8B), C2S(H2S), C1S(H1S),
 C3S(H3S), C8S(H8S), C7S(H7S), C6S(H6S), C9S(H9S), C4S(H4S), C5S(H5S), C8C(H8C),
  C6B(H6B), C7B(H7B), C9C(H9C), C8A(H8A), C10A(H10A), C9A(H9A), C7C(H7C),
 C6C(H6C), C10B(H10B), C10C(H10C)
8.c Idealised Me refined as rotating group:
 C74(H74A,H74B,H74C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C75(H75A,H75B,
 H75C), C94(H94A,H94B,H94C), C96(H96A,H96B,H96C), C25A(H25A,H25B,H25C),
 C24A(H24A,H24B,H24C), C24B(H24D,H24E,H24F), C25B(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh2 Rh 0.34247(2) 0.55703(2) 0.42833(2) 0.02151(8) Uani 1 1 d . . . . .
Rh1 Rh 0.35995(2) 0.70871(2) 0.41869(2) 0.02754(8) Uani 1 1 d . . . . .
P2 P 0.27216(2) 0.64991(5) 0.39950(3) 0.02308(19) Uani 1 1 d . . . . .
P1 P 0.36293(3) 0.88772(5) 0.44055(4) 0.0342(2) Uani 1 1 d . . . . .
P4 P 0.41458(2) 0.53400(5) 0.51630(3) 0.02382(19) Uani 1 1 d . . . . .
P3 P 0.30195(2) 0.34269(5) 0.42062(4) 0.02442(19) Uani 1 1 d . . . . .
N4 N 0.35484(7) 0.45309(15) 0.47403(11) 0.0226(6) Uani 1 1 d . . . . .
C86 C 0.39047(9) 0.6671(2) 0.38049(15) 0.0336(8) Uani 1 1 d . . . . .
H86 H 0.3928 0.7199 0.3730 0.040 Uiso 1 1 calc R . . . .
N1 N 0.32047(7) 0.76706(15) 0.42559(12) 0.0287(6) Uani 1 1 d . . . . .
N6 N 0.41259(8) 0.61517(16) 0.54667(12) 0.0291(6) Uani 1 1 d D . . . .
C53 C 0.39826(9) 0.3847(2) 0.54684(15) 0.0326(8) Uani 1 1 d . . . . .
H53 H 0.4205 0.3713 0.5783 0.039 Uiso 1 1 calc R . . . .
C26 C 0.22909(9) 0.65404(18) 0.39613(14) 0.0257(7) Uani 1 1 d . . . . .
N3 N 0.29852(7) 0.58424(15) 0.43988(11) 0.0231(6) Uani 1 1 d . . . . .
C56 C 0.29243(10) 0.2455(2) 0.49120(16) 0.0381(9) Uani 1 1 d . . . . .
H56 H 0.2917 0.2926 0.5085 0.046 Uiso 1 1 calc R . . . .
C55 C 0.29884(9) 0.24777(19) 0.44662(14) 0.0291(8) Uani 1 1 d . . . . .
C32 C 0.26395(8) 0.6277(2) 0.33032(13) 0.0262(7) Uani 1 1 d . . . . .
C39 C 0.32483(9) 0.6278(2) 0.53726(14) 0.0319(8) Uani 1 1 d . . . . .
H39 H 0.3331 0.6738 0.5284 0.038 Uiso 1 1 calc R . . . .
C87 C 0.40475(9) 0.6415(2) 0.43592(14) 0.0290(8) Uani 1 1 d . . . . .
H87 H 0.4200 0.6741 0.4662 0.035 Uiso 1 1 calc R . . . .
C54 C 0.38983(9) 0.45355(18) 0.51695(13) 0.0250(7) Uani 1 1 d . . . . .
C4 C 0.28647(9) 0.74798(19) 0.41354(14) 0.0284(8) Uani 1 1 d . . . . .
C67 C 0.23228(9) 0.37557(19) 0.37498(13) 0.0274(7) Uani 1 1 d . . . . .
C27 C 0.19779(9) 0.6518(2) 0.34532(16) 0.0391(9) Uani 1 1 d . . . . .
H27 H 0.1990 0.6474 0.3119 0.047 Uiso 1 1 calc R . . . .
N5 N 0.26814(7) 0.39553(15) 0.40043(11) 0.0283(6) Uani 1 1 d . . . . .
C77 C 0.48777(10) 0.5614(2) 0.57756(16) 0.0421(9) Uani 1 1 d . . . . .
H77 H 0.4819 0.6119 0.5843 0.051 Uiso 1 1 calc R . . . .
C83 C 0.37668(8) 0.5114(2) 0.39984(13) 0.0270(7) Uani 1 1 d . . . . .
H83 H 0.3708 0.4603 0.4055 0.032 Uiso 1 1 calc R . . . .
C68 C 0.21807(10) 0.3028(2) 0.35248(15) 0.0364(9) Uani 1 1 d . . . . .
H68 H 0.2335 0.2632 0.3529 0.044 Uiso 1 1 calc R . . . .
C5A C 0.38057(11) 0.9528(2) 0.49913(17) 0.0475(10) Uani 0.594(3) 1 d D U P A 3
C76 C 0.46105(9) 0.5072(2) 0.54806(13) 0.0282(8) Uani 1 1 d . . . . .
C38 C 0.30493(8) 0.57464(18) 0.49579(13) 0.0232(7) Uani 1 1 d . . . . .
C3 C 0.26691(10) 0.8146(2) 0.40910(16) 0.0365(9) Uani 1 1 d . . . . .
H3 H 0.2427 0.8169 0.4010 0.044 Uiso 1 1 calc R . . . .
C62 C 0.34700(12) 0.2976(2) 0.37838(19) 0.0508(11) Uani 1 1 d . . . . .
H62 H 0.3640 0.2839 0.4155 0.061 Uiso 1 1 calc R . . . .
C51 C 0.34159(8) 0.38283(19) 0.47683(13) 0.0249(7) Uani 1 1 d . . . . .
C85 C 0.37214(10) 0.6129(2) 0.33484(15) 0.0379(9) Uani 1 1 d . . . . .
H85 H 0.3638 0.6299 0.2977 0.045 Uiso 1 1 calc R . . . .
C40 C 0.33278(10) 0.6142(2) 0.59196(15) 0.0371(9) Uani 1 1 d . . . . .
H40 H 0.3462 0.6518 0.6197 0.044 Uiso 1 1 calc R . . . .
C22 C 0.45120(13) 0.7982(3) 0.5149(2) 0.0631(13) Uani 1 1 d . U . . .
H22 H 0.4448 0.7762 0.5403 0.076 Uiso 1 1 calc R . . . .
C15 C 0.33119(15) 0.9387(3) 0.2813(2) 0.0729(15) Uani 1 1 d . U . . .
H15 H 0.3221 0.9096 0.2478 0.088 Uiso 1 1 calc R . . . .
C31 C 0.22663(10) 0.6623(2) 0.44445(16) 0.0372(9) Uani 1 1 d . . . . .
H31 H 0.2478 0.6648 0.4797 0.045 Uiso 1 1 calc R . . . .
C61 C 0.31377(10) 0.3265(2) 0.36641(15) 0.0330(8) Uani 1 1 d . . . . .
C58 C 0.28810(14) 0.1073(3) 0.48532(19) 0.0636(14) Uani 1 1 d . . . . .
H58 H 0.2846 0.0591 0.4986 0.076 Uiso 1 1 calc R . . . .
C43 C 0.29299(10) 0.50836(19) 0.51009(14) 0.0307(8) Uani 1 1 d . . . . .
H43 H 0.2790 0.4714 0.4822 0.037 Uiso 1 1 calc R . . . .
C42 C 0.30131(10) 0.4957(2) 0.56461(15) 0.0366(9) Uani 1 1 d . . . . .
H42 H 0.2928 0.4500 0.5735 0.044 Uiso 1 1 calc R . . . .
C17 C 0.42466(11) 0.8240(2) 0.46339(17) 0.0452(10) Uani 1 1 d . U . . .
C33 C 0.26209(11) 0.6870(2) 0.29497(16) 0.0429(10) Uani 1 1 d . . . . .
H33 H 0.2652 0.7395 0.3070 0.052 Uiso 1 1 calc R . . . .
C72 C 0.20775(10) 0.4322(2) 0.37123(14) 0.0311(8) Uani 1 1 d . . . . .
H72 H 0.2160 0.4830 0.3848 0.037 Uiso 1 1 calc R . . . .
C60 C 0.29975(12) 0.1799(2) 0.42132(17) 0.0493(11) Uani 1 1 d . . . . .
H60 H 0.3042 0.1810 0.3909 0.059 Uiso 1 1 calc R . . . .
C52 C 0.36768(9) 0.3394(2) 0.52142(14) 0.0328(8) Uani 1 1 d . . . . .
H52 H 0.3649 0.2886 0.5321 0.039 Uiso 1 1 calc R . . . .
C78 C 0.52322(11) 0.5408(3) 0.59698(18) 0.0554(12) Uani 1 1 d . . . . .
H78 H 0.5416 0.5775 0.6175 0.067 Uiso 1 1 calc R . . . .
N2 N 0.38802(8) 0.81462(17) 0.44921(14) 0.0401(8) Uani 1 1 d . . . . .
C57 C 0.28718(11) 0.1761(2) 0.51075(18) 0.0483(11) Uani 1 1 d . . . . .
H57 H 0.2830 0.1753 0.5415 0.058 Uiso 1 1 calc R . . . .
C89 C 0.41579(11) 0.7031(2) 0.61647(18) 0.0456(10) Uani 1 1 d . . . . .
H89 H 0.4054 0.7425 0.5889 0.055 Uiso 1 1 calc R . . . .
C11 C 0.35241(10) 0.9452(2) 0.37984(16) 0.0369(9) Uani 1 1 d . . . . .
C71 C 0.17181(10) 0.4153(2) 0.34817(16) 0.0381(9) Uani 1 1 d . . . . .
H71 H 0.1561 0.4551 0.3466 0.046 Uiso 1 1 calc R . . . .
C88 C 0.42193(9) 0.6298(2) 0.60239(14) 0.0320(8) Uani 1 1 d . . . . .
C41 C 0.32171(10) 0.5479(2) 0.60693(14) 0.0326(8) Uani 1 1 d . . . . .
C28 C 0.16491(10) 0.6560(3) 0.34257(18) 0.0506(11) Uani 1 1 d . . . . .
H28 H 0.1436 0.6539 0.3075 0.061 Uiso 1 1 calc R . . . .
C37 C 0.25951(10) 0.5511(2) 0.31280(14) 0.0341(8) Uani 1 1 d . . . . .
H37 H 0.2610 0.5105 0.3371 0.041 Uiso 1 1 calc R . . . .
C30 C 0.19362(11) 0.6667(3) 0.44118(18) 0.0496(11) Uani 1 1 d . . . . .
H30 H 0.1921 0.6723 0.4743 0.060 Uiso 1 1 calc R . . . .
C2 C 0.28980(10) 0.8772(2) 0.41883(17) 0.0426(10) Uani 1 1 d . . . . .
H2 H 0.2842 0.9306 0.4184 0.051 Uiso 1 1 calc R . . . .
C82 C 0.39550(8) 0.56306(19) 0.44591(13) 0.0258(7) Uani 1 1 d . . . . .
C18 C 0.43472(12) 0.8555(3) 0.4274(2) 0.0590(12) Uani 1 1 d . U . . .
H18 H 0.4169 0.8723 0.3915 0.071 Uiso 1 1 calc R . . . .
C79 C 0.53210(11) 0.4688(3) 0.58712(18) 0.0551(12) Uani 1 1 d . . . . .
H79 H 0.5565 0.4554 0.6010 0.066 Uiso 1 1 calc R . . . .
C81 C 0.47045(10) 0.4350(2) 0.53775(16) 0.0403(9) Uani 1 1 d . . . . .
H81 H 0.4523 0.3980 0.5170 0.048 Uiso 1 1 calc R . . . .
C20 C 0.49729(15) 0.8385(4) 0.4952(3) 0.0852(16) Uani 1 1 d . U . . .
C12 C 0.35539(16) 1.0245(3) 0.3797(2) 0.0741(16) Uani 1 1 d . . . . .
H12 H 0.3631 1.0540 0.4128 0.089 Uiso 1 1 calc R . . . .
C80 C 0.50577(11) 0.4159(3) 0.55714(18) 0.0511(11) Uani 1 1 d . . . . .
H80 H 0.5118 0.3660 0.5497 0.061 Uiso 1 1 calc R . . . .
C73 C 0.11846(11) 0.3251(3) 0.3035(2) 0.0569(12) Uani 1 1 d . . . . .
H73 H 0.1060 0.3750 0.3016 0.068 Uiso 1 1 calc R . . . .
C69 C 0.18202(10) 0.2874(2) 0.32975(17) 0.0434(10) Uani 1 1 d . . . . .
H69 H 0.1735 0.2370 0.3153 0.052 Uiso 1 1 calc R . . . .
C44 C 0.33330(11) 0.5309(3) 0.66738(15) 0.0443(10) Uani 1 1 d . . . . .
H44 H 0.3412 0.5811 0.6882 0.053 Uiso 1 1 calc R . . . .
C1 C 0.32223(10) 0.8466(2) 0.42924(15) 0.0344(8) Uani 1 1 d . . . . .
C66 C 0.28952(11) 0.3475(2) 0.31256(15) 0.0392(9) Uani 1 1 d . . . . .
H66 H 0.2670 0.3683 0.3043 0.047 Uiso 1 1 calc R . . . .
C35 C 0.25092(12) 0.5933(3) 0.22381(17) 0.0555(12) Uani 1 1 d . . . . .
H35 H 0.2463 0.5814 0.1872 0.067 Uiso 1 1 calc R . . . .
C29 C 0.16291(11) 0.6631(3) 0.3905(2) 0.0537(12) Uani 1 1 d . . . . .
H29 H 0.1403 0.6656 0.3886 0.064 Uiso 1 1 calc R . . . .
C84 C 0.36682(9) 0.5384(2) 0.34446(14) 0.0341(8) Uani 1 1 d . . . . .
H84 H 0.3564 0.5030 0.3141 0.041 Uiso 1 1 calc R . . . .
C91 C 0.44046(13) 0.6634(3) 0.71331(19) 0.0647(14) Uani 1 1 d . . . . .
C70 C 0.15772(10) 0.3430(2) 0.32727(16) 0.0410(9) Uani 1 1 d . . . . .
C74 C 0.11298(15) 0.2707(4) 0.3423(3) 0.0934(19) Uani 1 1 d . U . . .
H74A H 0.1252 0.2917 0.3803 0.140 Uiso 1 1 calc GR . . . .
H74B H 0.1228 0.2195 0.3421 0.140 Uiso 1 1 calc GR . . . .
H74C H 0.0874 0.2658 0.3295 0.140 Uiso 1 1 calc GR . . . .
C45 C 0.30356(12) 0.4989(3) 0.67602(17) 0.0612(13) Uani 1 1 d . . . . .
H45A H 0.2967 0.4473 0.6590 0.092 Uiso 1 1 calc GR . . . .
H45B H 0.2829 0.5336 0.6586 0.092 Uiso 1 1 calc GR . . . .
H45C H 0.3119 0.4950 0.7160 0.092 Uiso 1 1 calc GR . . . .
C36 C 0.25286(12) 0.5346(2) 0.25912(16) 0.0471(10) Uani 1 1 d . . . . .
H36 H 0.2496 0.4823 0.2467 0.056 Uiso 1 1 calc R . . . .
C46 C 0.36542(13) 0.4766(4) 0.6921(2) 0.0787(17) Uani 1 1 d . . . . .
H46A H 0.3851 0.5005 0.6892 0.118 Uiso 1 1 calc GR . . . .
H46B H 0.3588 0.4274 0.6716 0.118 Uiso 1 1 calc GR . . . .
H46C H 0.3730 0.4668 0.7314 0.118 Uiso 1 1 calc GR . . . .
C21 C 0.48700(15) 0.8041(3) 0.5298(3) 0.0817(16) Uani 1 1 d . U . . .
H21 H 0.5047 0.7840 0.5647 0.098 Uiso 1 1 calc R . . . .
C63 C 0.35532(15) 0.2889(3) 0.3359(2) 0.0667(14) Uani 1 1 d . . . . .
H63 H 0.3780 0.2690 0.3441 0.080 Uiso 1 1 calc R . . . .
C65 C 0.29808(14) 0.3384(3) 0.26985(19) 0.0570(12) Uani 1 1 d . . . . .
H65 H 0.2813 0.3524 0.2326 0.068 Uiso 1 1 calc R . . . .
C59 C 0.29410(16) 0.1094(3) 0.4405(2) 0.0735(16) Uani 1 1 d . . . . .
H59 H 0.2944 0.0625 0.4226 0.088 Uiso 1 1 calc R . . . .
C34 C 0.25555(13) 0.6684(3) 0.24127(18) 0.0591(13) Uani 1 1 d . . . . .
H34 H 0.2544 0.7086 0.2168 0.071 Uiso 1 1 calc R . . . .
C19 C 0.47042(14) 0.8630(3) 0.4428(2) 0.0784(15) Uani 1 1 d . U . . .
H19 H 0.4768 0.8853 0.4174 0.094 Uiso 1 1 calc R . . . .
C13 C 0.34645(17) 1.0613(3) 0.3274(3) 0.0918(19) Uani 1 1 d . U . . .
H13 H 0.3477 1.1161 0.3250 0.110 Uiso 1 1 calc R . . . .
C16 C 0.33950(12) 0.9031(3) 0.33032(17) 0.0538(11) Uani 1 1 d . . . . .
H16 H 0.3364 0.8486 0.3308 0.065 Uiso 1 1 calc R . . . .
C93 C 0.43755(10) 0.5743(2) 0.64403(15) 0.0399(9) Uani 1 1 d . . . . .
H93 H 0.4421 0.5239 0.6350 0.048 Uiso 1 1 calc R . . . .
C64 C 0.33092(16) 0.3089(3) 0.2822(2) 0.0643(14) Uani 1 1 d . . . . .
H64 H 0.3367 0.3024 0.2534 0.077 Uiso 1 1 calc R . . . .
C92 C 0.44667(12) 0.5912(3) 0.69851(17) 0.0545(12) Uani 1 1 d . . . . .
H92 H 0.4574 0.5522 0.7262 0.065 Uiso 1 1 calc R . . . .
C90 C 0.42501(12) 0.7185(3) 0.6715(2) 0.0620(14) Uani 1 1 d . . . . .
H90 H 0.4205 0.7688 0.6808 0.074 Uiso 1 1 calc R . . . .
C75 C 0.10176(16) 0.2926(4) 0.2447(3) 0.104(2) Uani 1 1 d . U . . .
H75A H 0.1145 0.2454 0.2449 0.156 Uiso 1 1 calc GR . . . .
H75B H 0.1035 0.3312 0.2200 0.156 Uiso 1 1 calc GR . . . .
H75C H 0.0766 0.2804 0.2314 0.156 Uiso 1 1 calc GR . . . .
C94 C 0.41910(19) 0.6914(5) 0.7798(3) 0.115(2) Uani 1 1 d . U . . .
H94A H 0.4042 0.6446 0.7677 0.172 Uiso 1 1 calc GR . . . .
H94B H 0.4053 0.7356 0.7569 0.172 Uiso 1 1 calc GR . . . .
H94C H 0.4267 0.7020 0.8190 0.172 Uiso 1 1 calc GR . . . .
C14 C 0.33607(16) 1.0154(4) 0.2810(2) 0.0832(17) Uani 1 1 d . U . . .
H14 H 0.3322 1.0391 0.2474 0.100 Uiso 1 1 calc R . . . .
C96 C 0.48032(19) 0.7217(5) 0.8045(3) 0.121(3) Uani 1 1 d . U . . .
H96A H 0.4767 0.7750 0.7904 0.181 Uiso 1 1 calc GR . . . .
H96B H 0.5003 0.6983 0.8022 0.181 Uiso 1 1 calc GR . . . .
H96C H 0.4857 0.7221 0.8434 0.181 Uiso 1 1 calc GR . . . .
C9B C 0.4227(6) 0.9755(8) 0.5998(9) 0.091(6) Uani 0.203(3) 1 d D U P A 4
H9B H 0.4399 0.9559 0.6352 0.109 Uiso 0.203(3) 1 calc R . P A 4
C6A C 0.3616(2) 0.9716(5) 0.5262(3) 0.048(2) Uani 0.594(3) 1 d D U P A 3
H6A H 0.3386 0.9494 0.5133 0.058 Uiso 0.594(3) 1 calc R . P A 3
C95 C 0.45035(19) 0.6799(4) 0.7735(3) 0.0957(19) Uani 1 1 d . U . . .
H95 H 0.4583 0.6273 0.7904 0.115 Uiso 1 1 calc R . . . .
C23A C 0.5370(3) 0.8589(6) 0.5244(6) 0.076(4) Uani 0.517(11) 1 d D U P B 1
H23A H 0.5396 0.8992 0.5006 0.091 Uiso 0.517(11) 1 calc R . P B 1
C25A C 0.5508(4) 0.7819(8) 0.5124(8) 0.107(5) Uani 0.517(11) 1 d D U P B 1
H25A H 0.5379 0.7714 0.4722 0.161 Uiso 0.517(11) 1 calc GR . P B 1
H25B H 0.5469 0.7391 0.5322 0.161 Uiso 0.517(11) 1 calc GR . P B 1
H25C H 0.5764 0.7866 0.5251 0.161 Uiso 0.517(11) 1 calc GR . P B 1
C5C C 0.38057(11) 0.9528(2) 0.49913(17) 0.0475(10) Uani 0.203(3) 1 d D U P A 5
C7A C 0.3751(2) 1.0216(6) 0.5714(4) 0.073(3) Uani 0.594(3) 1 d D U P A 3
H7A H 0.3612 1.0362 0.5881 0.087 Uiso 0.594(3) 1 calc R . P A 3
C8B C 0.40889(18) 1.0492(4) 0.5911(3) 0.1007(19) Uani 0.203(3) 1 d D U P A 4
H8B H 0.4216 1.0879 0.6182 0.121 Uiso 0.203(3) 1 calc R . P A 4
C2S C 0.53540(19) 0.6173(4) 0.2908(3) 0.096(2) Uani 1 1 d . . . . .
H2S H 0.5598 0.6169 0.3192 0.115 Uiso 1 1 calc R . . . .
C1S C 0.52642(19) 0.6178(4) 0.2355(3) 0.101(2) Uani 1 1 d . . . . .
H1S H 0.5447 0.6185 0.2256 0.121 Uiso 1 1 calc R . . . .
C3S C 0.5083(2) 0.6173(4) 0.3047(3) 0.100(2) Uani 1 1 d . . . . .
H3S H 0.5144 0.6169 0.3428 0.120 Uiso 1 1 calc R . . . .
C8S C 0.5794(4) 0.9718(8) 0.7276(6) 0.108(4) Uani 0.5 1 d D . P . .
H8S H 0.6034 0.9892 0.7431 0.129 Uiso 0.5 1 calc R . P . .
C7S C 0.5686(4) 0.9501(7) 0.7649(7) 0.122(5) Uani 0.5 1 d D . P . .
H7S H 0.5849 0.9503 0.8039 0.147 Uiso 0.5 1 calc R . P . .
C6S C 0.5335(4) 0.9279(8) 0.7445(7) 0.148(5) Uani 0.5 1 d D . P . .
H6S H 0.5235 0.9176 0.7679 0.178 Uiso 0.5 1 calc R . P . .
C9S C 0.5594(4) 0.9713(9) 0.6704(6) 0.143(5) Uani 0.5 1 d D . P . .
H9S H 0.5682 0.9901 0.6471 0.172 Uiso 0.5 1 calc R . P . .
C4S C 0.5253(4) 0.9412(9) 0.6493(8) 0.157(6) Uani 0.5 1 d D . P . .
H4S H 0.5102 0.9339 0.6104 0.189 Uiso 0.5 1 calc R . P . .
C5S C 0.5138(5) 0.9219(8) 0.6869(7) 0.151(5) Uani 0.5 1 d D . P . .
H5S H 0.4901 0.9027 0.6716 0.182 Uiso 0.5 1 calc R . P . .
C24A C 0.5555(4) 0.8917(10) 0.5831(6) 0.156(8) Uani 0.517(11) 1 d D U P B 1
H24A H 0.5538 0.8544 0.6085 0.234 Uiso 0.517(11) 1 calc GR . P B 1
H24B H 0.5439 0.9404 0.5837 0.234 Uiso 0.517(11) 1 calc GR . P B 1
H24C H 0.5807 0.9016 0.5949 0.234 Uiso 0.517(11) 1 calc GR . P B 1
C24B C 0.5625(4) 0.8048(11) 0.5532(8) 0.114(6) Uani 0.483(11) 1 d . U P B 2
H24D H 0.5584 0.7491 0.5545 0.171 Uiso 0.483(11) 1 calc GR . P B 2
H24E H 0.5596 0.8315 0.5822 0.171 Uiso 0.483(11) 1 calc GR . P B 2
H24F H 0.5868 0.8133 0.5597 0.171 Uiso 0.483(11) 1 calc GR . P B 2
C25B C 0.5408(4) 0.7893(9) 0.4527(9) 0.125(6) Uani 0.483(11) 1 d . U P B 2
H25D H 0.5197 0.7952 0.4158 0.188 Uiso 0.483(11) 1 calc GR . P B 2
H25E H 0.5441 0.7344 0.4633 0.188 Uiso 0.483(11) 1 calc GR . P B 2
H25F H 0.5620 0.8084 0.4518 0.188 Uiso 0.483(11) 1 calc GR . P B 2
C23B C 0.5355(4) 0.8369(10) 0.4962(6) 0.081(4) Uani 0.483(11) 1 d . U P B 2
H23B H 0.5424 0.8918 0.4944 0.097 Uiso 0.483(11) 1 calc R . P B 2
C8C C 0.40889(18) 1.0492(4) 0.5911(3) 0.1007(19) Uani 0.203(3) 1 d D U P A 5
H8C H 0.4170 1.0830 0.6222 0.121 Uiso 0.203(3) 1 calc R . P A 5
C6B C 0.3627(5) 1.0216(9) 0.4965(9) 0.066(5) Uani 0.203(3) 1 d D U P A 4
H6B H 0.3415 1.0356 0.4634 0.079 Uiso 0.203(3) 1 calc R . P A 4
C7B C 0.3766(5) 1.0698(16) 0.5435(7) 0.096(7) Uani 0.203(3) 1 d D U P A 4
H7B H 0.3644 1.1158 0.5433 0.116 Uiso 0.203(3) 1 calc R . P A 4
C9C C 0.4194(6) 1.0639(12) 0.5513(7) 0.060(5) Uani 0.203(3) 1 d D U P A 5
H9C H 0.4353 1.1046 0.5547 0.072 Uiso 0.203(3) 1 calc R . P A 5
C5B C 0.38057(11) 0.9528(2) 0.49913(17) 0.0475(10) Uani 0.203(3) 1 d D U P A 4
C8A C 0.40889(18) 1.0492(4) 0.5911(3) 0.1007(19) Uani 0.594(3) 1 d D U P A 3
H8A H 0.4181 1.0856 0.6208 0.121 Uiso 0.594(3) 1 calc R . P A 3
C10A C 0.41621(19) 0.9790(4) 0.5204(3) 0.055(2) Uani 0.594(3) 1 d D U P A 3
H10A H 0.4296 0.9656 0.5027 0.066 Uiso 0.594(3) 1 calc R . P A 3
C9A C 0.4310(2) 1.0252(5) 0.5684(4) 0.071(3) Uani 0.594(3) 1 d D U P A 3
H9A H 0.4554 1.0404 0.5857 0.086 Uiso 0.594(3) 1 calc R . P A 3
C7C C 0.3871(6) 0.9875(10) 0.5868(10) 0.058(5) Uani 0.203(3) 1 d D U P A 5
H7C H 0.3840 0.9744 0.6177 0.070 Uiso 0.203(3) 1 calc R . P A 5
C6C C 0.3696(7) 0.9446(14) 0.5382(8) 0.051(6) Uani 0.203(3) 1 d D U P A 5
H6C H 0.3506 0.9105 0.5319 0.061 Uiso 0.203(3) 1 calc R . P A 5
C10B C 0.4087(4) 0.9327(13) 0.5506(6) 0.075(6) Uani 0.203(3) 1 d D U P A 4
H10B H 0.4197 0.8841 0.5528 0.090 Uiso 0.203(3) 1 calc R . P A 4
C10C C 0.4044(4) 1.0128(8) 0.5064(8) 0.047(5) Uani 0.203(3) 1 d D U P A 5
H10C H 0.4109 1.0192 0.4783 0.056 Uiso 0.203(3) 1 calc R . P A 5
H6 H 0.3971(8) 0.6489(18) 0.5221(13) 0.048(12) Uiso 1 1 d D . . . .
H1 H 0.3319(9) 0.634(2) 0.3847(15) 0.042(10) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh2 Rh1 2.7689(7) . ?
Rh2 P4 2.8703(11) . ?
Rh2 N4 2.103(3) . ?
Rh2 N3 2.118(3) . ?
Rh2 C83 2.130(3) . ?
Rh2 C82 2.086(3) . ?
Rh2 H1 1.69(3) . ?
Rh1 C86 2.170(4) . ?
Rh1 N1 2.060(3) . ?
Rh1 C87 2.091(3) . ?
Rh1 N2 2.120(3) . ?
Rh1 H1 1.70(3) . ?
P2 C26 1.809(3) . ?
P2 N3 1.600(3) . ?
P2 C32 1.802(3) . ?
P2 C4 1.775(3) . ?
P1 C5A 1.799(4) . ?
P1 N2 1.598(3) . ?
P1 C11 1.800(4) . ?
P1 C1 1.767(4) . ?
P4 N6 1.654(3) . ?
P4 C54 1.753(3) . ?
P4 C76 1.802(3) . ?
P4 C82 1.767(3) . ?
P3 C55 1.818(3) . ?
P3 N5 1.567(3) . ?
P3 C51 1.784(3) . ?
P3 C61 1.822(4) . ?
N4 C54 1.382(4) . ?
N4 C51 1.357(4) . ?
C86 H86 0.9500 . ?
C86 C87 1.408(5) . ?
C86 C85 1.450(5) . ?
N1 C4 1.369(4) . ?
N1 C1 1.374(4) . ?
N6 C88 1.406(4) . ?
N6 H6 0.892(10) . ?
C53 H53 0.9500 . ?
C53 C54 1.387(5) . ?
C53 C52 1.386(5) . ?
C26 C27 1.384(5) . ?
C26 C31 1.395(5) . ?
N3 C38 1.436(4) . ?
C56 H56 0.9500 . ?
C56 C55 1.387(5) . ?
C56 C57 1.376(5) . ?
C55 C60 1.373(5) . ?
C32 C33 1.387(5) . ?
C32 C37 1.386(5) . ?
C39 H39 0.9500 . ?
C39 C38 1.384(5) . ?
C39 C40 1.392(5) . ?
C87 H87 0.9500 . ?
C87 C82 1.474(5) . ?
C4 C3 1.392(5) . ?
C67 N5 1.386(4) . ?
C67 C68 1.399(5) . ?
C67 C72 1.402(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(5) . ?
C77 H77 0.9500 . ?
C77 C76 1.391(5) . ?
C77 C78 1.389(6) . ?
C83 H83 0.9500 . ?
C83 C82 1.431(5) . ?
C83 C84 1.446(5) . ?
C68 H68 0.9500 . ?
C68 C69 1.381(5) . ?
C5A C6A 1.389(7) . ?
C5A C10A 1.417(7) . ?
C76 C81 1.380(5) . ?
C38 C43 1.387(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.395(5) . ?
C62 H62 0.9500 . ?
C62 C61 1.390(6) . ?
C62 C63 1.391(6) . ?
C51 C52 1.404(5) . ?
C85 H85 0.9500 . ?
C85 C84 1.353(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.378(5) . ?
C22 H22 0.9500 . ?
C22 C17 1.385(6) . ?
C22 C21 1.387(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.363(6) . ?
C15 C14 1.338(8) . ?
C31 H31 0.9500 . ?
C31 C30 1.379(5) . ?
C61 C66 1.377(5) . ?
C58 H58 0.9500 . ?
C58 C57 1.388(6) . ?
C58 C59 1.383(7) . ?
C43 H43 0.9500 . ?
C43 C42 1.381(5) . ?
C42 H42 0.9500 . ?
C42 C41 1.389(5) . ?
C17 N2 1.433(5) . ?
C17 C18 1.376(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.402(6) . ?
C72 H72 0.9500 . ?
C72 C71 1.381(5) . ?
C60 H60 0.9500 . ?
C60 C59 1.393(6) . ?
C52 H52 0.9500 . ?
C78 H78 0.9500 . ?
C78 C79 1.365(7) . ?
C57 H57 0.9500 . ?
C89 H89 0.9500 . ?
C89 C88 1.386(5) . ?
C89 C90 1.393(6) . ?
C11 C12 1.374(6) . ?
C11 C16 1.397(5) . ?
C71 H71 0.9500 . ?
C71 C70 1.381(5) . ?
C88 C93 1.387(5) . ?
C41 C44 1.515(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.372(6) . ?
C37 H37 0.9500 . ?
C37 C36 1.392(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.371(6) . ?
C2 H2 0.9500 . ?
C2 C1 1.382(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(6) . ?
C79 H79 0.9500 . ?
C79 C80 1.368(6) . ?
C81 H81 0.9500 . ?
C81 C80 1.378(5) . ?
C20 C21 1.370(7) . ?
C20 C19 1.398(7) . ?
C20 C23A 1.525(13) . ?
C20 C23B 1.629(15) . ?
C12 H12 0.9500 . ?
C12 C13 1.443(7) . ?
C80 H80 0.9500 . ?
C73 H73 1.0000 . ?
C73 C70 1.511(5) . ?
C73 C74 1.526(7) . ?
C73 C75 1.520(7) . ?
C69 H69 0.9500 . ?
C69 C70 1.394(5) . ?
C44 H44 1.0000 . ?
C44 C45 1.515(6) . ?
C44 C46 1.523(6) . ?
C66 H66 0.9500 . ?
C66 C65 1.405(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.378(6) . ?
C35 C34 1.360(6) . ?
C29 H29 0.9500 . ?
C84 H84 0.9500 . ?
C91 C92 1.377(7) . ?
C91 C90 1.384(7) . ?
C91 C95 1.522(7) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C36 H36 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C21 H21 0.9500 . ?
C63 H63 0.9500 . ?
C63 C64 1.371(7) . ?
C65 H65 0.9500 . ?
C65 C64 1.375(7) . ?
C59 H59 0.9500 . ?
C34 H34 0.9500 . ?
C19 H19 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.380(8) . ?
C16 H16 0.9500 . ?
C93 H93 0.9500 . ?
C93 C92 1.384(5) . ?
C64 H64 0.9500 . ?
C92 H92 0.9500 . ?
C90 H90 0.9500 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C94 C95 1.451(8) . ?
C14 H14 0.9500 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C96 C95 1.351(9) . ?
C9B H9B 0.9500 . ?
C9B C8B 1.374(10) . ?
C9B C10B 1.392(10) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.386(7) . ?
C95 H95 1.0000 . ?
C23A H23A 1.0000 . ?
C23A C25A 1.557(9) . ?
C23A C24A 1.516(9) . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C7A H7A 0.9500 . ?
C8B H8B 0.9500 . ?
C8B C7B 1.406(10) . ?
C2S H2S 0.9500 . ?
C2S C1S 1.376(9) . ?
C2S C3S 1.392(9) . ?
C1S H1S 0.9500 . ?
C1S C3S 1.352(8) 2_655 ?
C3S C1S 1.352(8) 2_655 ?
C3S H3S 0.9500 . ?
C8S H8S 0.9500 . ?
C8S C7S 1.373(5) . ?
C8S C9S 1.376(5) . ?
C7S H7S 0.9500 . ?
C7S C6S 1.380(5) . ?
C6S H6S 0.9500 . ?
C6S C5S 1.388(5) . ?
C9S H9S 0.9500 . ?
C9S C4S 1.384(5) . ?
C4S H4S 0.9500 . ?
C4S C5S 1.388(5) . ?
C5S H5S 0.9500 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C24B C23B 1.53(2) . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C25B C23B 1.56(2) . ?
C23B H23B 1.0000 . ?
C6B H6B 0.9500 . ?
C6B C7B 1.402(10) . ?
C7B H7B 0.9500 . ?
C9C H9C 0.9500 . ?
C9C C10C 1.393(10) . ?
C10A H10A 0.9500 . ?
C10A C9A 1.400(7) . ?
C9A H9A 0.9500 . ?
C7C H7C 0.9500 . ?
C7C C6C 1.384(10) . ?
C6C H6C 0.9500 . ?
C10B H10B 0.9500 . ?
C10C H10C 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Rh1 Rh2 P4 88.90(2) . . ?
Rh1 Rh2 H1 35.4(12) . . ?
P4 Rh2 H1 120.6(12) . . ?
N4 Rh2 Rh1 149.51(7) . . ?
N4 Rh2 P4 61.76(7) . . ?
N4 Rh2 N3 94.55(10) . . ?
N4 Rh2 C83 83.67(12) . . ?
N4 Rh2 H1 172.6(12) . . ?
N3 Rh2 Rh1 96.30(7) . . ?
N3 Rh2 P4 125.13(7) . . ?
N3 Rh2 C83 165.14(11) . . ?
N3 Rh2 H1 89.3(12) . . ?
C83 Rh2 Rh1 92.53(10) . . ?
C83 Rh2 P4 66.82(9) . . ?
C83 Rh2 H1 91.0(12) . . ?
C82 Rh2 Rh1 70.02(9) . . ?
C82 Rh2 P4 37.76(9) . . ?
C82 Rh2 N4 88.77(11) . . ?
C82 Rh2 N3 155.19(12) . . ?
C82 Rh2 C83 39.67(12) . . ?
C82 Rh2 H1 90.3(12) . . ?
Rh2 Rh1 H1 35.1(12) . . ?
C86 Rh1 Rh2 89.55(10) . . ?
C86 Rh1 H1 85.1(12) . . ?
N1 Rh1 Rh2 100.21(8) . . ?
N1 Rh1 C86 158.23(12) . . ?
N1 Rh1 C87 163.22(12) . . ?
N1 Rh1 N2 82.91(12) . . ?
N1 Rh1 H1 91.8(12) . . ?
C87 Rh1 Rh2 73.64(9) . . ?
C87 Rh1 C86 38.54(13) . . ?
C87 Rh1 N2 96.10(13) . . ?
C87 Rh1 H1 91.5(12) . . ?
N2 Rh1 Rh2 154.56(9) . . ?
N2 Rh1 C86 96.61(13) . . ?
N2 Rh1 H1 169.8(12) . . ?
N3 P2 C26 114.79(14) . . ?
N3 P2 C32 106.77(15) . . ?
N3 P2 C4 118.13(15) . . ?
C32 P2 C26 107.00(15) . . ?
C4 P2 C26 102.10(15) . . ?
C4 P2 C32 107.41(16) . . ?
C5A P1 C11 107.06(19) . . ?
N2 P1 C5A 113.75(19) . . ?
N2 P1 C11 114.48(18) . . ?
N2 P1 C1 104.28(16) . . ?
C1 P1 C5A 110.56(18) . . ?
C1 P1 C11 106.46(18) . . ?
N6 P4 Rh2 90.41(11) . . ?
N6 P4 C54 118.74(15) . . ?
N6 P4 C76 107.01(15) . . ?
N6 P4 C82 101.81(15) . . ?
C54 P4 Rh2 73.15(11) . . ?
C54 P4 C76 108.97(16) . . ?
C54 P4 C82 106.26(15) . . ?
C76 P4 Rh2 157.37(11) . . ?
C82 P4 Rh2 46.29(11) . . ?
C82 P4 C76 114.19(15) . . ?
C55 P3 C61 106.88(16) . . ?
N5 P3 C55 115.33(15) . . ?
N5 P3 C51 113.88(15) . . ?
N5 P3 C61 112.49(17) . . ?
C51 P3 C55 103.34(15) . . ?
C51 P3 C61 103.83(16) . . ?
C54 N4 Rh2 110.8(2) . . ?
C51 N4 Rh2 143.7(2) . . ?
C51 N4 C54 105.5(3) . . ?
Rh1 C86 H86 86.8 . . ?
C87 C86 Rh1 67.72(19) . . ?
C87 C86 H86 120.0 . . ?
C87 C86 C85 120.0(3) . . ?
C85 C86 Rh1 115.8(2) . . ?
C85 C86 H86 120.0 . . ?
C4 N1 Rh1 133.6(2) . . ?
C4 N1 C1 105.7(3) . . ?
C1 N1 Rh1 118.4(2) . . ?
P4 N6 H6 112(3) . . ?
C88 N6 P4 130.3(2) . . ?
C88 N6 H6 115(3) . . ?
C54 C53 H53 127.0 . . ?
C52 C53 H53 127.0 . . ?
C52 C53 C54 106.1(3) . . ?
C27 C26 P2 120.7(3) . . ?
C27 C26 C31 118.4(3) . . ?
C31 C26 P2 120.8(3) . . ?
P2 N3 Rh2 115.48(14) . . ?
C38 N3 Rh2 114.99(19) . . ?
C38 N3 P2 121.6(2) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C57 C56 C55 121.0(4) . . ?
C56 C55 P3 117.4(3) . . ?
C60 C55 P3 122.7(3) . . ?
C60 C55 C56 119.6(3) . . ?
C33 C32 P2 120.0(3) . . ?
C37 C32 P2 119.5(2) . . ?
C37 C32 C33 120.4(3) . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
Rh1 C87 H87 91.8 . . ?
C86 C87 Rh1 73.7(2) . . ?
C86 C87 H87 120.8 . . ?
C86 C87 C82 118.5(3) . . ?
C82 C87 Rh1 104.3(2) . . ?
C82 C87 H87 120.8 . . ?
N4 C54 P4 113.9(2) . . ?
N4 C54 C53 111.1(3) . . ?
C53 C54 P4 134.5(3) . . ?
N1 C4 P2 119.7(2) . . ?
N1 C4 C3 110.5(3) . . ?
C3 C4 P2 129.5(3) . . ?
N5 C67 C68 125.5(3) . . ?
N5 C67 C72 118.2(3) . . ?
C68 C67 C72 116.3(3) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.8(4) . . ?
C28 C27 H27 119.6 . . ?
C67 N5 P3 129.9(2) . . ?
C76 C77 H77 120.4 . . ?
C78 C77 H77 120.4 . . ?
C78 C77 C76 119.1(4) . . ?
Rh2 C83 H83 89.6 . . ?
C82 C83 Rh2 68.51(18) . . ?
C82 C83 H83 120.6 . . ?
C82 C83 C84 118.7(3) . . ?
C84 C83 Rh2 112.0(2) . . ?
C84 C83 H83 120.6 . . ?
C67 C68 H68 119.3 . . ?
C69 C68 C67 121.4(3) . . ?
C69 C68 H68 119.3 . . ?
C6A C5A P1 121.9(4) . . ?
C6A C5A C10A 120.4(5) . . ?
C10A C5A P1 117.5(4) . . ?
C77 C76 P4 120.7(3) . . ?
C81 C76 P4 119.9(3) . . ?
C81 C76 C77 119.0(3) . . ?
C39 C38 N3 121.6(3) . . ?
C39 C38 C43 118.4(3) . . ?
C43 C38 N3 119.9(3) . . ?
C4 C3 H3 126.8 . . ?
C4 C3 C2 106.4(3) . . ?
C2 C3 H3 126.8 . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 119.9(4) . . ?
C63 C62 H62 120.0 . . ?
N4 C51 P3 123.0(2) . . ?
N4 C51 C52 110.4(3) . . ?
C52 C51 P3 124.3(3) . . ?
C86 C85 H85 119.5 . . ?
C84 C85 C86 120.9(3) . . ?
C84 C85 H85 119.5 . . ?
C39 C40 H40 119.1 . . ?
C41 C40 C39 121.8(3) . . ?
C41 C40 H40 119.1 . . ?
C17 C22 H22 119.6 . . ?
C17 C22 C21 120.9(5) . . ?
C21 C22 H22 119.6 . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.1(5) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 C26 120.2(4) . . ?
C30 C31 H31 119.9 . . ?
C62 C61 P3 122.0(3) . . ?
C66 C61 P3 118.4(3) . . ?
C66 C61 C62 119.6(4) . . ?
C57 C58 H58 120.2 . . ?
C59 C58 H58 120.2 . . ?
C59 C58 C57 119.6(4) . . ?
C38 C43 H43 119.8 . . ?
C42 C43 C38 120.4(3) . . ?
C42 C43 H43 119.8 . . ?
C43 C42 H42 119.0 . . ?
C43 C42 C41 122.0(3) . . ?
C41 C42 H42 119.0 . . ?
C22 C17 N2 118.9(4) . . ?
C18 C17 C22 118.3(4) . . ?
C18 C17 N2 122.8(4) . . ?
C32 C33 H33 120.5 . . ?
C32 C33 C34 119.1(4) . . ?
C34 C33 H33 120.5 . . ?
C67 C72 H72 119.4 . . ?
C71 C72 C67 121.1(3) . . ?
C71 C72 H72 119.4 . . ?
C55 C60 H60 120.1 . . ?
C55 C60 C59 119.8(4) . . ?
C59 C60 H60 120.1 . . ?
C53 C52 C51 107.0(3) . . ?
C53 C52 H52 126.5 . . ?
C51 C52 H52 126.5 . . ?
C77 C78 H78 119.5 . . ?
C79 C78 C77 121.1(4) . . ?
C79 C78 H78 119.5 . . ?
P1 N2 Rh1 114.16(16) . . ?
C17 N2 Rh1 122.6(3) . . ?
C17 N2 P1 121.5(3) . . ?
C56 C57 C58 119.6(4) . . ?
C56 C57 H57 120.2 . . ?
C58 C57 H57 120.2 . . ?
C88 C89 H89 120.4 . . ?
C88 C89 C90 119.2(4) . . ?
C90 C89 H89 120.4 . . ?
C12 C11 P1 124.7(3) . . ?
C12 C11 C16 120.4(4) . . ?
C16 C11 P1 114.9(3) . . ?
C72 C71 H71 118.5 . . ?
C72 C71 C70 122.9(4) . . ?
C70 C71 H71 118.5 . . ?
C89 C88 N6 118.5(3) . . ?
C89 C88 C93 118.6(3) . . ?
C93 C88 N6 122.9(3) . . ?
C40 C41 C42 117.0(3) . . ?
C40 C41 C44 121.0(3) . . ?
C42 C41 C44 121.9(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.1(4) . . ?
C29 C28 H28 120.0 . . ?
C32 C37 H37 120.4 . . ?
C32 C37 C36 119.1(3) . . ?
C36 C37 H37 120.4 . . ?
C31 C30 H30 119.8 . . ?
C29 C30 C31 120.5(4) . . ?
C29 C30 H30 119.8 . . ?
C3 C2 H2 126.6 . . ?
C1 C2 C3 106.7(3) . . ?
C1 C2 H2 126.6 . . ?
P4 C82 Rh2 95.95(14) . . ?
C87 C82 Rh2 111.5(2) . . ?
C87 C82 P4 116.3(2) . . ?
C83 C82 Rh2 71.82(18) . . ?
C83 C82 P4 123.5(2) . . ?
C83 C82 C87 119.5(3) . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.7(5) . . ?
C19 C18 H18 119.6 . . ?
C78 C79 H79 120.1 . . ?
C78 C79 C80 119.8(4) . . ?
C80 C79 H79 120.1 . . ?
C76 C81 H81 119.5 . . ?
C80 C81 C76 120.9(4) . . ?
C80 C81 H81 119.5 . . ?
C21 C20 C19 117.7(5) . . ?
C21 C20 C23A 113.1(7) . . ?
C21 C20 C23B 130.5(7) . . ?
C19 C20 C23A 128.0(6) . . ?
C19 C20 C23B 109.6(7) . . ?
C11 C12 H12 121.3 . . ?
C11 C12 C13 117.5(5) . . ?
C13 C12 H12 121.3 . . ?
C79 C80 C81 120.0(4) . . ?
C79 C80 H80 120.0 . . ?
C81 C80 H80 120.0 . . ?
C70 C73 H73 107.6 . . ?
C70 C73 C74 110.3(4) . . ?
C70 C73 C75 112.1(4) . . ?
C74 C73 H73 107.6 . . ?
C75 C73 H73 107.6 . . ?
C75 C73 C74 111.5(5) . . ?
C68 C69 H69 118.8 . . ?
C68 C69 C70 122.4(4) . . ?
C70 C69 H69 118.8 . . ?
C41 C44 H44 107.4 . . ?
C41 C44 C45 113.4(3) . . ?
C41 C44 C46 110.2(3) . . ?
C45 C44 H44 107.4 . . ?
C45 C44 C46 110.8(4) . . ?
C46 C44 H44 107.4 . . ?
N1 C1 P1 115.3(3) . . ?
N1 C1 C2 110.6(3) . . ?
C2 C1 P1 133.9(3) . . ?
C61 C66 H66 119.9 . . ?
C61 C66 C65 120.2(4) . . ?
C65 C66 H66 119.9 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.1(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(4) . . ?
C30 C29 H29 120.0 . . ?
C83 C84 H84 119.3 . . ?
C85 C84 C83 121.5(3) . . ?
C85 C84 H84 119.3 . . ?
C92 C91 C90 117.2(4) . . ?
C92 C91 C95 120.0(5) . . ?
C90 C91 C95 122.8(5) . . ?
C71 C70 C73 122.0(4) . . ?
C71 C70 C69 115.8(4) . . ?
C69 C70 C73 122.1(4) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C37 C36 H36 119.6 . . ?
C35 C36 C37 120.7(4) . . ?
C35 C36 H36 119.6 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C22 C21 H21 119.4 . . ?
C20 C21 C22 121.1(5) . . ?
C20 C21 H21 119.4 . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.3(5) . . ?
C64 C63 H63 119.9 . . ?
C66 C65 H65 120.2 . . ?
C64 C65 C66 119.6(5) . . ?
C64 C65 H65 120.2 . . ?
C58 C59 C60 120.4(4) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.7(4) . . ?
C35 C34 H34 119.7 . . ?
C18 C19 C20 121.1(5) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.7(5) . . ?
C14 C13 H13 120.7 . . ?
C15 C16 C11 121.3(5) . . ?
C15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
C88 C93 H93 119.5 . . ?
C92 C93 C88 121.1(4) . . ?
C92 C93 H93 119.5 . . ?
C63 C64 C65 120.4(4) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C91 C92 C93 121.3(4) . . ?
C91 C92 H92 119.4 . . ?
C93 C92 H92 119.4 . . ?
C89 C90 H90 118.7 . . ?
C91 C90 C89 122.6(4) . . ?
C91 C90 H90 118.7 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C95 C94 H94A 109.5 . . ?
C95 C94 H94B 109.5 . . ?
C95 C94 H94C 109.5 . . ?
C15 C14 C13 122.8(5) . . ?
C15 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
C8B C9B H9B 123.9 . . ?
C8B C9B C10B 112.2(19) . . ?
C10B C9B H9B 123.9 . . ?
C5A C6A H6A 119.0 . . ?
C7A C6A C5A 122.1(7) . . ?
C7A C6A H6A 119.0 . . ?
C91 C95 H95 100.9 . . ?
C94 C95 C91 112.3(6) . . ?
C94 C95 H95 100.9 . . ?
C96 C95 C91 117.2(6) . . ?
C96 C95 C94 120.0(6) . . ?
C96 C95 H95 100.9 . . ?
C20 C23A H23A 105.8 . . ?
C20 C23A C25A 97.8(9) . . ?
C25A C23A H23A 105.8 . . ?
C24A C23A C20 120.8(10) . . ?
C24A C23A H23A 105.8 . . ?
C24A C23A C25A 119.4(13) . . ?
C23A C25A H25A 109.5 . . ?
C23A C25A H25B 109.5 . . ?
C23A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C6A C7A H7A 121.1 . . ?
C9B C8B H8B 118.7 . . ?
C9B C8B C7B 122.6(15) . . ?
C7B C8B H8B 118.7 . . ?
C1S C2S H2S 120.4 . . ?
C1S C2S C3S 119.2(6) . . ?
C3S C2S H2S 120.4 . . ?
C2S C1S H1S 120.0 . . ?
C3S C1S C2S 120.1(7) 2_655 . ?
C3S C1S H1S 120.0 2_655 . ?
C2S C3S H3S 119.7 . . ?
C1S C3S C2S 120.7(7) 2_655 . ?
C1S C3S H3S 119.7 2_655 . ?
C7S C8S H8S 116.4 . . ?
C7S C8S C9S 127.2(17) . . ?
C9S C8S H8S 116.4 . . ?
C8S C7S H7S 120.8 . . ?
C8S C7S C6S 118.5(17) . . ?
C6S C7S H7S 120.8 . . ?
C7S C6S H6S 122.8 . . ?
C7S C6S C5S 114.4(17) . . ?
C5S C6S H6S 122.8 . . ?
C8S C9S H9S 122.6 . . ?
C8S C9S C4S 114.8(17) . . ?
C4S C9S H9S 122.6 . . ?
C9S C4S H4S 121.1 . . ?
C9S C4S C5S 117.9(19) . . ?
C5S C4S H4S 121.1 . . ?
C6S C5S H5S 116.7 . . ?
C4S C5S C6S 127(2) . . ?
C4S C5S H5S 116.7 . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C23B C25B H25D 109.5 . . ?
C23B C25B H25E 109.5 . . ?
C23B C25B H25F 109.5 . . ?
C20 C23B H23B 107.5 . . ?
C24B C23B C20 105.8(11) . . ?
C24B C23B C25B 106.1(15) . . ?
C24B C23B H23B 107.5 . . ?
C25B C23B C20 121.7(11) . . ?
C25B C23B H23B 107.5 . . ?
C7B C6B H6B 120.6 . . ?
C8B C7B H7B 120.4 . . ?
C6B C7B C8B 119.3(18) . . ?
C6B C7B H7B 120.4 . . ?
C10C C9C H9C 123.3 . . ?
C5A C10A H10A 121.1 . . ?
C9A C10A C5A 117.8(7) . . ?
C9A C10A H10A 121.1 . . ?
C10A C9A H9A 120.4 . . ?
C6C C7C H7C 119.5 . . ?
C7C C6C H6C 121.0 . . ?
C9B C10B H10B 116.3 . . ?
C9C C10C H10C 117.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh2 P4 N6 C88 131.2(3) . . . . ?
Rh2 P4 C54 N4 4.6(2) . . . . ?
Rh2 P4 C54 C53 175.3(4) . . . . ?
Rh2 P4 C76 C77 120.3(3) . . . . ?
Rh2 P4 C76 C81 -52.0(5) . . . . ?
Rh2 P4 C82 C87 117.6(3) . . . . ?
Rh2 P4 C82 C83 -72.1(3) . . . . ?
Rh2 N4 C54 P4 -6.4(3) . . . . ?
Rh2 N4 C54 C53 -179.3(2) . . . . ?
Rh2 N4 C51 P3 14.8(5) . . . . ?
Rh2 N4 C51 C52 178.2(3) . . . . ?
Rh2 N3 C38 C39 76.1(3) . . . . ?
Rh2 N3 C38 C43 -99.7(3) . . . . ?
Rh2 C83 C82 P4 85.0(2) . . . . ?
Rh2 C83 C82 C87 -104.9(3) . . . . ?
Rh2 C83 C84 C85 70.8(4) . . . . ?
Rh1 C86 C87 C82 97.8(3) . . . . ?
Rh1 C86 C85 C84 -74.5(4) . . . . ?
Rh1 N1 C4 P2 12.8(4) . . . . ?
Rh1 N1 C4 C3 -161.2(3) . . . . ?
Rh1 N1 C1 P1 -11.3(4) . . . . ?
Rh1 N1 C1 C2 164.2(3) . . . . ?
Rh1 C87 C82 Rh2 7.1(3) . . . . ?
Rh1 C87 C82 P4 -101.5(2) . . . . ?
Rh1 C87 C82 C83 87.7(3) . . . . ?
P2 C26 C27 C28 -179.1(3) . . . . ?
P2 C26 C31 C30 178.9(3) . . . . ?
P2 N3 C38 C39 -71.4(4) . . . . ?
P2 N3 C38 C43 112.7(3) . . . . ?
P2 C32 C33 C34 -179.8(3) . . . . ?
P2 C32 C37 C36 179.4(3) . . . . ?
P2 C4 C3 C2 -173.3(3) . . . . ?
P1 C5A C6A C7A 179.9(7) . . . . ?
P1 C5A C10A C9A -175.5(6) . . . . ?
P1 C11 C12 C13 178.9(4) . . . . ?
P1 C11 C16 C15 -178.5(4) . . . . ?
P4 N6 C88 C89 -176.6(3) . . . . ?
P4 N6 C88 C93 4.5(5) . . . . ?
P4 C76 C81 C80 173.7(3) . . . . ?
P3 C55 C60 C59 -174.4(4) . . . . ?
P3 C51 C52 C53 162.9(3) . . . . ?
P3 C61 C66 C65 177.9(3) . . . . ?
N4 C51 C52 C53 -0.3(4) . . . . ?
C86 C87 C82 Rh2 -71.9(3) . . . . ?
C86 C87 C82 P4 179.4(3) . . . . ?
C86 C87 C82 C83 8.7(5) . . . . ?
C86 C85 C84 C83 4.7(5) . . . . ?
N1 C4 C3 C2 0.0(4) . . . . ?
N6 P4 C54 N4 85.5(3) . . . . ?
N6 P4 C54 C53 -103.8(4) . . . . ?
N6 P4 C76 C77 -18.5(3) . . . . ?
N6 P4 C76 C81 169.1(3) . . . . ?
N6 P4 C82 Rh2 -79.06(15) . . . . ?
N6 P4 C82 C87 38.5(3) . . . . ?
N6 P4 C82 C83 -151.2(3) . . . . ?
N6 C88 C93 C92 179.4(4) . . . . ?
C26 P2 N3 Rh2 163.83(14) . . . . ?
C26 P2 N3 C38 -48.7(3) . . . . ?
C26 P2 C32 C33 95.9(3) . . . . ?
C26 P2 C32 C37 -84.1(3) . . . . ?
C26 P2 C4 N1 172.4(3) . . . . ?
C26 P2 C4 C3 -14.8(4) . . . . ?
C26 C27 C28 C29 0.6(7) . . . . ?
C26 C31 C30 C29 0.0(6) . . . . ?
N3 P2 C26 C27 -127.2(3) . . . . ?
N3 P2 C26 C31 55.0(3) . . . . ?
N3 P2 C32 C33 -140.7(3) . . . . ?
N3 P2 C32 C37 39.3(3) . . . . ?
N3 P2 C4 N1 45.5(3) . . . . ?
N3 P2 C4 C3 -141.7(3) . . . . ?
N3 C38 C43 C42 175.1(3) . . . . ?
C56 C55 C60 C59 0.3(6) . . . . ?
C55 P3 N5 C67 -33.6(4) . . . . ?
C55 P3 C51 N4 177.2(3) . . . . ?
C55 P3 C51 C52 16.0(3) . . . . ?
C55 P3 C61 C62 -68.1(3) . . . . ?
C55 P3 C61 C66 115.3(3) . . . . ?
C55 C56 C57 C58 -0.4(6) . . . . ?
C55 C60 C59 C58 -0.9(8) . . . . ?
C32 P2 C26 C27 -9.0(3) . . . . ?
C32 P2 C26 C31 173.3(3) . . . . ?
C32 P2 N3 Rh2 45.44(19) . . . . ?
C32 P2 N3 C38 -167.1(2) . . . . ?
C32 P2 C4 N1 -75.2(3) . . . . ?
C32 P2 C4 C3 97.6(4) . . . . ?
C32 C33 C34 C35 0.3(7) . . . . ?
C32 C37 C36 C35 0.5(6) . . . . ?
C39 C38 C43 C42 -0.9(5) . . . . ?
C39 C40 C41 C42 -1.8(6) . . . . ?
C39 C40 C41 C44 174.7(4) . . . . ?
C87 C86 C85 C84 3.5(5) . . . . ?
C54 P4 N6 C88 60.2(3) . . . . ?
C54 P4 C76 C77 -148.1(3) . . . . ?
C54 P4 C76 C81 39.6(3) . . . . ?
C54 P4 C82 Rh2 45.87(17) . . . . ?
C54 P4 C82 C87 163.4(2) . . . . ?
C54 P4 C82 C83 -26.2(3) . . . . ?
C54 N4 C51 P3 -162.8(2) . . . . ?
C54 N4 C51 C52 0.7(4) . . . . ?
C54 C53 C52 C51 -0.2(4) . . . . ?
C4 P2 C26 C27 103.7(3) . . . . ?
C4 P2 C26 C31 -74.0(3) . . . . ?
C4 P2 N3 Rh2 -75.6(2) . . . . ?
C4 P2 N3 C38 71.8(3) . . . . ?
C4 P2 C32 C33 -13.1(3) . . . . ?
C4 P2 C32 C37 166.9(3) . . . . ?
C4 N1 C1 P1 -176.4(2) . . . . ?
C4 N1 C1 C2 -0.9(4) . . . . ?
C4 C3 C2 C1 -0.5(4) . . . . ?
C67 C68 C69 C70 0.7(6) . . . . ?
C67 C72 C71 C70 -0.4(6) . . . . ?
C27 C26 C31 C30 1.1(5) . . . . ?
C27 C28 C29 C30 0.5(7) . . . . ?
N5 P3 C55 C56 -58.4(3) . . . . ?
N5 P3 C55 C60 116.4(3) . . . . ?
N5 P3 C51 N4 -57.0(3) . . . . ?
N5 P3 C51 C52 141.8(3) . . . . ?
N5 P3 C61 C62 164.4(3) . . . . ?
N5 P3 C61 C66 -12.2(3) . . . . ?
N5 C67 C68 C69 177.5(3) . . . . ?
N5 C67 C72 C71 -177.7(3) . . . . ?
C77 C76 C81 C80 1.2(6) . . . . ?
C77 C78 C79 C80 0.7(7) . . . . ?
C68 C67 N5 P3 -12.5(5) . . . . ?
C68 C67 C72 C71 2.1(5) . . . . ?
C68 C69 C70 C71 1.1(6) . . . . ?
C68 C69 C70 C73 -178.6(4) . . . . ?
C5A P1 N2 Rh1 139.42(18) . . . . ?
C5A P1 N2 C17 -55.2(4) . . . . ?
C5A P1 C11 C12 -4.1(5) . . . . ?
C5A P1 C11 C16 177.7(3) . . . . ?
C5A P1 C1 N1 -128.1(3) . . . . ?
C5A P1 C1 C2 57.8(5) . . . . ?
C76 P4 N6 C88 -63.5(3) . . . . ?
C76 P4 C54 N4 -151.7(2) . . . . ?
C76 P4 C54 C53 19.0(4) . . . . ?
C76 P4 C82 Rh2 166.01(14) . . . . ?
C76 P4 C82 C87 -76.4(3) . . . . ?
C76 P4 C82 C83 93.9(3) . . . . ?
C76 C77 C78 C79 0.6(6) . . . . ?
C76 C81 C80 C79 0.1(6) . . . . ?
C38 C39 C40 C41 0.8(6) . . . . ?
C38 C43 C42 C41 -0.1(6) . . . . ?
C3 C2 C1 P1 175.3(3) . . . . ?
C3 C2 C1 N1 0.9(4) . . . . ?
C62 C61 C66 C65 1.3(6) . . . . ?
C62 C63 C64 C65 0.5(7) . . . . ?
C51 P3 C55 C56 66.5(3) . . . . ?
C51 P3 C55 C60 -118.7(3) . . . . ?
C51 P3 N5 C67 -152.9(3) . . . . ?
C51 P3 C61 C62 40.8(3) . . . . ?
C51 P3 C61 C66 -135.8(3) . . . . ?
C51 N4 C54 P4 172.0(2) . . . . ?
C51 N4 C54 C53 -0.9(4) . . . . ?
C85 C86 C87 Rh1 -107.8(3) . . . . ?
C85 C86 C87 C82 -10.1(5) . . . . ?
C40 C39 C38 N3 -175.4(3) . . . . ?
C40 C39 C38 C43 0.5(5) . . . . ?
C40 C41 C44 C45 138.3(4) . . . . ?
C40 C41 C44 C46 -96.9(5) . . . . ?
C22 C17 N2 Rh1 -81.5(5) . . . . ?
C22 C17 N2 P1 114.3(4) . . . . ?
C22 C17 C18 C19 -1.6(7) . . . . ?
C31 C26 C27 C28 -1.4(6) . . . . ?
C31 C30 C29 C28 -0.8(7) . . . . ?
C61 P3 C55 C56 175.7(3) . . . . ?
C61 P3 C55 C60 -9.5(4) . . . . ?
C61 P3 N5 C67 89.3(3) . . . . ?
C61 P3 C51 N4 65.7(3) . . . . ?
C61 P3 C51 C52 -95.5(3) . . . . ?
C61 C62 C63 C64 0.2(7) . . . . ?
C61 C66 C65 C64 -0.6(6) . . . . ?
C43 C42 C41 C40 1.4(6) . . . . ?
C43 C42 C41 C44 -175.0(4) . . . . ?
C42 C41 C44 C45 -45.5(5) . . . . ?
C42 C41 C44 C46 79.4(5) . . . . ?
C17 C22 C21 C20 2.8(9) . . . . ?
C17 C18 C19 C20 0.4(9) . . . . ?
C33 C32 C37 C36 -0.6(5) . . . . ?
C72 C67 N5 P3 167.3(3) . . . . ?
C72 C67 C68 C69 -2.3(5) . . . . ?
C72 C71 C70 C73 178.4(4) . . . . ?
C72 C71 C70 C69 -1.2(6) . . . . ?
C52 C53 C54 P4 -170.2(3) . . . . ?
C52 C53 C54 N4 0.7(4) . . . . ?
C78 C77 C76 P4 -174.0(3) . . . . ?
C78 C77 C76 C81 -1.5(6) . . . . ?
C78 C79 C80 C81 -1.0(7) . . . . ?
N2 P1 C5A C6A -123.0(5) . . . . ?
N2 P1 C5A C10A 51.2(5) . . . . ?
N2 P1 C11 C12 -131.1(4) . . . . ?
N2 P1 C11 C16 50.7(4) . . . . ?
N2 P1 C1 N1 -5.4(3) . . . . ?
N2 P1 C1 C2 -179.5(4) . . . . ?
N2 C17 C18 C19 -179.7(5) . . . . ?
C57 C56 C55 P3 175.3(3) . . . . ?
C57 C56 C55 C60 0.4(6) . . . . ?
C57 C58 C59 C60 1.0(8) . . . . ?
C89 C88 C93 C92 0.4(6) . . . . ?
C11 P1 C5A C6A 109.6(5) . . . . ?
C11 P1 C5A C10A -76.3(5) . . . . ?
C11 P1 N2 Rh1 -97.0(2) . . . . ?
C11 P1 N2 C17 68.4(4) . . . . ?
C11 P1 C1 N1 116.0(3) . . . . ?
C11 P1 C1 C2 -58.1(4) . . . . ?
C11 C12 C13 C14 -1.1(9) . . . . ?
C88 C89 C90 C91 0.6(7) . . . . ?
C88 C93 C92 C91 0.2(7) . . . . ?
C37 C32 C33 C34 0.2(6) . . . . ?
C82 P4 N6 C88 176.4(3) . . . . ?
C82 P4 C54 N4 -28.2(3) . . . . ?
C82 P4 C54 C53 142.4(4) . . . . ?
C82 P4 C76 C77 93.3(3) . . . . ?
C82 P4 C76 C81 -79.0(3) . . . . ?
C82 C83 C84 C85 -5.9(5) . . . . ?
C18 C17 N2 Rh1 96.6(4) . . . . ?
C18 C17 N2 P1 -67.6(5) . . . . ?
C12 C11 C16 C15 3.2(7) . . . . ?
C12 C13 C14 C15 5.5(10) . . . . ?
C1 P1 C5A C6A -6.0(6) . . . . ?
C1 P1 C5A C10A 168.1(4) . . . . ?
C1 P1 N2 Rh1 18.9(2) . . . . ?
C1 P1 N2 C17 -175.7(3) . . . . ?
C1 P1 C11 C12 114.2(4) . . . . ?
C1 P1 C11 C16 -64.0(4) . . . . ?
C1 N1 C4 P2 174.6(2) . . . . ?
C1 N1 C4 C3 0.6(4) . . . . ?
C66 C65 C64 C63 -0.3(7) . . . . ?
C84 C83 C82 Rh2 104.1(3) . . . . ?
C84 C83 C82 P4 -170.9(3) . . . . ?
C84 C83 C82 C87 -0.9(5) . . . . ?
C74 C73 C70 C71 -109.6(5) . . . . ?
C74 C73 C70 C69 70.1(6) . . . . ?
C36 C35 C34 C33 -0.4(7) . . . . ?
C21 C22 C17 N2 178.2(5) . . . . ?
C21 C22 C17 C18 0.1(7) . . . . ?
C21 C20 C19 C18 2.4(9) . . . . ?
C21 C20 C23A C25A 91.0(11) . . . . ?
C21 C20 C23A C24A -40.2(13) . . . . ?
C21 C20 C23B C24B -14.0(18) . . . . ?
C21 C20 C23B C25B 106.9(14) . . . . ?
C63 C62 C61 P3 -177.6(3) . . . . ?
C63 C62 C61 C66 -1.1(6) . . . . ?
C59 C58 C57 C56 -0.3(7) . . . . ?
C34 C35 C36 C37 0.0(7) . . . . ?
C19 C20 C21 C22 -3.9(9) . . . . ?
C19 C20 C23A C25A -102.0(11) . . . . ?
C19 C20 C23A C24A 126.8(12) . . . . ?
C19 C20 C23B C24B -176.6(11) . . . . ?
C19 C20 C23B C25B -55.7(15) . . . . ?
C16 C15 C14 C13 -5.4(9) . . . . ?
C16 C11 C12 C13 -3.0(7) . . . . ?
C92 C91 C90 C89 0.1(7) . . . . ?
C92 C91 C95 C94 -111.7(7) . . . . ?
C92 C91 C95 C96 103.4(8) . . . . ?
C90 C89 C88 N6 -179.8(4) . . . . ?
C90 C89 C88 C93 -0.8(6) . . . . ?
C90 C91 C92 C93 -0.5(7) . . . . ?
C90 C91 C95 C94 68.0(8) . . . . ?
C90 C91 C95 C96 -76.9(8) . . . . ?
C75 C73 C70 C71 125.6(5) . . . . ?
C75 C73 C70 C69 -54.8(6) . . . . ?
C14 C15 C16 C11 1.0(8) . . . . ?
C9B C8B C7B C6B -18(4) . . . . ?
C6A C5A C10A C9A -1.3(9) . . . . ?
C95 C91 C92 C93 179.2(5) . . . . ?
C95 C91 C90 C89 -179.6(5) . . . . ?
C23A C20 C21 C22 164.6(7) . . . . ?
C23A C20 C19 C18 -164.1(8) . . . . ?
C23A C20 C23B C24B 50.6(13) . . . . ?
C23A C20 C23B C25B 171(2) . . . . ?
C1S C2S C3S C1S 0.0(10) . . . 2_655 ?
C3S C2S C1S C3S -0.9(9) . . . 2_655 ?
C8S C7S C6S C5S 7.0(18) . . . . ?
C8S C9S C4S C5S 6(2) . . . . ?
C7S C8S C9S C4S -4(2) . . . . ?
C7S C6S C5S C4S -5.0(15) . . . . ?
C9S C8S C7S C6S -3(2) . . . . ?
C9S C4S C5S C6S -1.7(16) . . . . ?
C23B C20 C21 C22 -165.4(9) . . . . ?
C23B C20 C19 C18 167.5(8) . . . . ?
C23B C20 C23A C25A -40.8(13) . . . . ?
C23B C20 C23A C24A -172(2) . . . . ?
C10A C5A C6A C7A 6.0(12) . . . . ?
C10B C9B C8B C7B 20(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.320 0.250 168.6 45.5 ?
2 0.000 0.680 0.750 168.6 45.6 ?
3 0.111 0.333 0.701 9.2 0.4 ?
4 0.111 0.667 0.201 9.2 0.4 ?
5 0.389 0.167 0.299 9.2 0.4 ?
6 0.389 0.833 0.799 9.2 0.4 ?
7 0.500 0.180 0.750 168.6 45.6 ?
8 0.500 0.820 0.250 168.6 45.5 ?
9 0.611 0.167 0.201 9.2 0.4 ?
10 0.611 0.833 0.701 9.2 0.4 ?
11 0.889 0.333 0.799 9.2 0.4 ?
12 0.889 0.667 0.299 9.2 0.4 ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5_ph14023_0m
_database_code_depnum_ccdc_archive 'CCDC 1034254'
_audit_update_record             
;
2014-11-14 deposited with the CCDC.
2015-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-09-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C60 H56 N3 P2 Rh'
_chemical_formula_sum            'C60 H56 N3 P2 Rh'
_chemical_formula_weight         983.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.907(7)
_cell_length_b                   27.103(13)
_cell_length_c                   16.593(9)
_cell_angle_alpha                90
_cell_angle_beta                 112.133(11)
_cell_angle_gamma                90
_cell_volume                     5793(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2706
_cell_measurement_temperature    173
_cell_measurement_theta_max      18.998
_cell_measurement_theta_min      2.189
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.386
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0672 before and 0.0563 after correction.
The Ratio of minimum to maximum transmission is 0.7580.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.128
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1280
_diffrn_reflns_av_unetI/netI     0.2171
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34510
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.503
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4621
_reflns_number_total             10077
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.525
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.896
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         10077
_refine_ls_number_restraints     215
_refine_ls_R_factor_all          0.1645
_refine_ls_R_factor_gt           0.0658
_refine_ls_restrained_S_all      0.902
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0727P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1579
_refine_special_details          
'The A level error in CheckCIF procedure is because the disordred solvents of crystallization (benzene) were treated with solvent mask option implemented in Olex2 program. C level errors originate from the fact that the crystals were extremely thin plates and we were not able to grow thicker ones hence the quality of the diffraction data is low.One isopropyl group was disordered and was refined over two postions with occupation factor ratio 62:38.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C44A, C44B}
3. Restrained distances
 C44B-C45B
 1.54 with sigma of 0.02
 C46A-C44A = C46B-C44B = C45A-C44A = C45B-C44B
 1.5 with sigma of 0.01
 C24A-C23A = C25A-C23A = C24B-C23B
 1.5 with sigma of 0.01
 C25B-C23B
 1.5 with sigma of 0.01
 C25B-C24B
 2.5 with sigma of 0.02
 C25A-C24A
 2.5 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C49 \\sim C54 \\sim C53 \\sim C52 \\sim C51 \\sim C50: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C2 \\sim C1 \\sim N1 \\sim C4 \\sim C3: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(C46A) \\sim Ueq, Uanis(C45A) \\sim Ueq, Uanis(C23A) \\sim Ueq,
Uanis(C23B) \\sim Ueq, Uanis(C45B) \\sim Ueq, Uanis(C46B) \\sim Ueq: with sigma
of 0.006 and sigma for terminal atoms of 0.012
Uanis(C24A) \\sim Ueq, Uanis(C24B) \\sim Ueq, Uanis(C25B) \\sim Ueq,
Uanis(C25A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C44A) = Uanis(C44B)
Uanis(C24B) = Uanis(C24A)
Uanis(C25A) = Uanis(C25B)
Uanis(C24B) = Uanis(C24A)
Uanis(C25A) = Uanis(C25B)
Uanis(C23A) = Uanis(C23B)
5. Others
 Sof(C46B)=Sof(H46D)=Sof(H46E)=Sof(H46F)=Sof(C45B)=Sof(H45D)=Sof(H45E)=
 Sof(H45F)=Sof(C44B)=Sof(H44B)=1-FVAR(1)
 Sof(C44A)=Sof(H44A)=Sof(C46A)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C45A)=
 Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(1)
 Sof(C23B)=Sof(H23B)=Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25B)=
 Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(2)
 Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=Sof(C23A)=Sof(H23A)=FVAR(2)
6.a Ternary CH refined with riding coordinates:
 C48(H48), C47(H47), C44A(H44A), C44B(H44B), C23A(H23A), C23B(H23B)
6.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C36(H36), C10(H10), C30(H30), C13(H13), C3(H3), C34(H34), C12(H12),
 C31(H31), C39(H39), C18(H18), C8(H8), C16(H16), C15(H15), C9(H9), C22(H22),
 C6(H6), C56(H56), C33(H33), C35(H35), C14(H14), C2(H2), C29(H29), C60(H60),
 C51(H51), C53(H53), C37(H37), C50(H50), C42(H42), C43(H43), C58(H58), C7(H7),
 C57(H57), C59(H59), C52(H52), C40(H40), C28(H28), C54(H54), C19(H19), C21(H21)
6.c Idealised Me refined as rotating group:
 C24A(H24A,H24B,H24C), C25A(H25A,H25B,H25C), C46A(H46A,H46B,H46C), C45A(H45A,
 H45B,H45C), C46B(H46D,H46E,H46F), C45B(H45D,H45E,H45F), C24B(H24D,H24E,H24F),
 C25B(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P2 P 1.12347(11) 0.21894(7) 0.05862(9) 0.0448(5) Uani 1 1 d . . . . .
P1 P 0.76572(11) 0.25194(7) 0.07294(9) 0.0413(5) Uani 1 1 d . . . . .
N3 N 1.0511(3) 0.17169(19) 0.0161(3) 0.0425(13) Uani 1 1 d . . . . .
N2 N 0.7892(3) 0.19351(19) 0.0879(3) 0.0408(13) Uani 1 1 d . . . . .
N1 N 0.9457(3) 0.24170(19) 0.0638(3) 0.0398(13) Uani 1 1 d . U . . .
C17 C 0.7222(4) 0.1661(2) 0.1188(4) 0.0478(17) Uani 1 1 d . . . . .
C1 C 0.8835(4) 0.2774(3) 0.0741(3) 0.0386(15) Uani 1 1 d . U . . .
C27 C 1.3017(4) 0.2341(3) 0.0216(4) 0.063(2) Uani 1 1 d . . . . .
H27 H 1.3376 0.2141 0.0709 0.075 Uiso 1 1 calc R . . . .
C4 C 1.0335(4) 0.2643(2) 0.0625(3) 0.0397(15) Uani 1 1 d . U . . .
C11 C 0.6659(4) 0.2682(3) -0.0302(3) 0.0405(17) Uani 1 1 d . . . . .
C26 C 1.1969(4) 0.2435(2) -0.0013(3) 0.0458(17) Uani 1 1 d . . . . .
C36 C 1.3391(5) 0.2456(3) 0.3009(4) 0.064(2) Uani 1 1 d . . . . .
H36 H 1.3837 0.2718 0.3306 0.077 Uiso 1 1 calc R . . . .
C10 C 0.6332(5) 0.2832(3) 0.1556(4) 0.061(2) Uani 1 1 d . . . . .
H10 H 0.5777 0.2697 0.1074 0.073 Uiso 1 1 calc R . . . .
C30 C 1.1983(6) 0.2917(3) -0.1245(4) 0.072(2) Uani 1 1 d . . . . .
H30 H 1.1631 0.3113 -0.1744 0.086 Uiso 1 1 calc R . . . .
C13 C 0.5491(5) 0.3271(3) -0.1272(4) 0.0525(17) Uani 1 1 d . . . . .
H13 H 0.5159 0.3584 -0.1365 0.063 Uiso 1 1 calc R . . . .
C3 C 1.0264(4) 0.3148(2) 0.0722(3) 0.0457(16) Uani 1 1 d . U . . .
H3 H 1.0769 0.3389 0.0739 0.055 Uiso 1 1 calc R . . . .
C34 C 1.2746(4) 0.1644(3) 0.3031(4) 0.063(2) Uani 1 1 d . . . . .
H34 H 1.2744 0.1349 0.3339 0.075 Uiso 1 1 calc R . . . .
C12 C 0.6166(4) 0.3138(3) -0.0448(4) 0.053(2) Uani 1 1 d . . . . .
H12 H 0.6294 0.3360 0.0024 0.064 Uiso 1 1 calc R . . . .
C31 C 1.1447(5) 0.2720(3) -0.0751(4) 0.061(2) Uani 1 1 d . . . . .
H31 H 1.0725 0.2781 -0.0920 0.073 Uiso 1 1 calc R . . . .
C39 C 1.1870(5) 0.1154(3) 0.0054(4) 0.069(2) Uani 1 1 d . . . . .
H39 H 1.2346 0.1254 0.0610 0.082 Uiso 1 1 calc R . . . .
C18 C 0.6147(5) 0.1653(3) 0.0753(4) 0.064(2) Uani 1 1 d . . . . .
H18 H 0.5832 0.1831 0.0225 0.077 Uiso 1 1 calc R . . . .
C8 C 0.6907(6) 0.3251(3) 0.2929(4) 0.065(2) Uani 1 1 d . . . . .
H8 H 0.6754 0.3398 0.3386 0.077 Uiso 1 1 calc R . . . .
C48 C 0.9000(4) 0.0944(2) 0.0780(4) 0.0499(18) Uani 1 1 d . . . . .
H48 H 0.8441 0.0887 0.1011 0.060 Uiso 1 1 calc R . . . .
C5 C 0.7327(4) 0.2818(2) 0.1564(3) 0.0431(17) Uani 1 1 d . . . . .
C16 C 0.6470(4) 0.2361(2) -0.0997(3) 0.0470(18) Uani 1 1 d . . . . .
H16 H 0.6805 0.2049 -0.0905 0.056 Uiso 1 1 calc R . . . .
C47 C 0.8619(4) 0.1006(2) -0.0118(4) 0.0467(17) Uani 1 1 d . . . . .
H47 H 0.9084 0.0863 -0.0393 0.056 Uiso 1 1 calc R . . . .
C15 C 0.5787(4) 0.2495(3) -0.1838(4) 0.0510(18) Uani 1 1 d . . . . .
H15 H 0.5665 0.2276 -0.2313 0.061 Uiso 1 1 calc R . . . .
C9 C 0.6131(5) 0.3036(3) 0.2227(5) 0.076(2) Uani 1 1 d . . . . .
H9 H 0.5441 0.3031 0.2212 0.091 Uiso 1 1 calc R . . . .
C22 C 0.7629(5) 0.1391(3) 0.1950(4) 0.0559(19) Uani 1 1 d . . . . .
H22 H 0.8359 0.1392 0.2262 0.067 Uiso 1 1 calc R . . . .
C6 C 0.8123(5) 0.3033(2) 0.2275(4) 0.0493(17) Uani 1 1 d . . . . .
H6 H 0.8815 0.3033 0.2296 0.059 Uiso 1 1 calc R . . . .
C32 C 1.2151(4) 0.2110(3) 0.1696(4) 0.0483(19) Uani 1 1 d . . . . .
C55 C 0.7500(4) 0.0998(2) -0.0705(4) 0.0513(17) Uani 1 1 d . . . . .
C56 C 0.7221(5) 0.1112(2) -0.1576(4) 0.0630(19) Uani 1 1 d . . . . .
H56 H 0.7751 0.1191 -0.1786 0.076 Uiso 1 1 calc R . . . .
C33 C 1.2127(4) 0.1679(3) 0.2152(4) 0.0535(18) Uani 1 1 d . . . . .
H33 H 1.1689 0.1412 0.1863 0.064 Uiso 1 1 calc R . . . .
C35 C 1.3358(5) 0.2029(3) 0.3456(4) 0.068(2) Uani 1 1 d . . . . .
H35 H 1.3763 0.2004 0.4061 0.082 Uiso 1 1 calc R . . . .
C14 C 0.5298(5) 0.2948(3) -0.1965(4) 0.056(2) Uani 1 1 d . . . . .
H14 H 0.4827 0.3038 -0.2529 0.067 Uiso 1 1 calc R . . . .
C2 C 0.9299(4) 0.3236(3) 0.0789(3) 0.0454(16) Uani 1 1 d . U . . .
H2 H 0.9019 0.3546 0.0853 0.055 Uiso 1 1 calc R . . . .
C29 C 1.3036(6) 0.2821(3) -0.0992(5) 0.076(2) Uani 1 1 d . . . . .
H29 H 1.3406 0.2954 -0.1320 0.091 Uiso 1 1 calc R . . . .
C60 C 0.6719(5) 0.0868(3) -0.0428(5) 0.076(2) Uani 1 1 d . . . . .
H60 H 0.6880 0.0781 0.0164 0.091 Uiso 1 1 calc R . . . .
C51 C 1.1256(6) 0.0426(3) 0.2711(5) 0.093(2) Uani 1 1 d . . . . .
H51 H 1.1477 0.0422 0.3327 0.111 Uiso 1 1 calc R . . . .
C53 C 1.1511(5) 0.0205(3) 0.1422(5) 0.078(2) Uani 1 1 d . . . . .
H53 H 1.1918 0.0049 0.1147 0.094 Uiso 1 1 calc R . . . .
C37 C 1.2794(4) 0.2505(3) 0.2151(4) 0.058(2) Uani 1 1 d . . . . .
H37 H 1.2807 0.2803 0.1855 0.069 Uiso 1 1 calc R . . . .
C49 C 0.9985(5) 0.0681(2) 0.1288(4) 0.0554(18) Uani 1 1 d . . . . .
C50 C 1.0321(6) 0.0674(3) 0.2203(4) 0.073(2) Uani 1 1 d . . . . .
H50 H 0.9923 0.0835 0.2481 0.088 Uiso 1 1 calc R . . . .
C44A C 1.1870(6) 0.0233(3) -0.1718(5) 0.088(3) Uani 0.58(2) 1 d D . P A 1
H44A H 1.1733 -0.0093 -0.1500 0.106 Uiso 0.58(2) 1 calc R . P A 1
C42 C 1.0528(6) 0.0838(3) -0.1553(4) 0.066(2) Uani 1 1 d . . . . .
H42 H 1.0048 0.0725 -0.2098 0.079 Uiso 1 1 calc R . . . .
C43 C 1.0232(5) 0.1203(3) -0.1112(3) 0.0513(18) Uani 1 1 d . . . . .
H43 H 0.9570 0.1353 -0.1383 0.062 Uiso 1 1 calc R . . . .
C41 C 1.1529(7) 0.0629(3) -0.1207(5) 0.076(2) Uani 1 1 d . . . . .
C58 C 0.5430(6) 0.0989(3) -0.1873(5) 0.088(2) Uani 1 1 d . . . . .
H58 H 0.4725 0.0988 -0.2264 0.106 Uiso 1 1 calc R . . . .
C7 C 0.7900(5) 0.3246(3) 0.2951(4) 0.060(2) Uani 1 1 d . . . . .
H7 H 0.8443 0.3389 0.3431 0.072 Uiso 1 1 calc R . . . .
C57 C 0.6187(5) 0.1115(3) -0.2158(4) 0.073(2) Uani 1 1 d . . . . .
H57 H 0.6018 0.1205 -0.2749 0.087 Uiso 1 1 calc R . . . .
C38 C 1.0874(4) 0.1358(3) -0.0286(3) 0.0446(17) Uani 1 1 d . . . . .
C59 C 0.5682(5) 0.0863(3) -0.1020(5) 0.089(2) Uani 1 1 d . . . . .
H59 H 0.5148 0.0771 -0.0823 0.107 Uiso 1 1 calc R . . . .
C52 C 1.1843(6) 0.0191(3) 0.2316(5) 0.088(2) Uani 1 1 d . . . . .
H52 H 1.2464 0.0023 0.2654 0.105 Uiso 1 1 calc R . . . .
C40 C 1.2166(6) 0.0802(3) -0.0424(5) 0.082(3) Uani 1 1 d . . . . .
H40 H 1.2855 0.0678 -0.0185 0.099 Uiso 1 1 calc R . . . .
C28 C 1.3551(5) 0.2537(3) -0.0273(4) 0.070(2) Uani 1 1 d . . . . .
H28 H 1.4271 0.2474 -0.0109 0.084 Uiso 1 1 calc R . . . .
C54 C 1.0599(5) 0.0440(3) 0.0915(4) 0.0637(19) Uani 1 1 d . . . . .
H54 H 1.0388 0.0437 0.0300 0.076 Uiso 1 1 calc R . . . .
C20 C 0.5943(7) 0.1108(3) 0.1857(5) 0.078(2) Uani 1 1 d . U . . .
C19 C 0.5532(6) 0.1381(3) 0.1100(6) 0.077(2) Uani 1 1 d . U . . .
H19 H 0.4800 0.1384 0.0799 0.093 Uiso 1 1 calc R . . . .
C21 C 0.7017(6) 0.1119(3) 0.2274(5) 0.072(2) Uani 1 1 d . . . . .
H21 H 0.7336 0.0936 0.2795 0.087 Uiso 1 1 calc R . . . .
C24A C 0.4574(12) 0.0486(6) 0.1578(10) 0.121(5) Uani 0.639(11) 1 d D U P B 3
H24A H 0.4039 0.0708 0.1199 0.181 Uiso 0.639(11) 1 calc GR . P B 3
H24B H 0.4253 0.0244 0.1839 0.181 Uiso 0.639(11) 1 calc GR . P B 3
H24C H 0.4910 0.0314 0.1236 0.181 Uiso 0.639(11) 1 calc GR . P B 3
C25A C 0.4755(11) 0.1136(5) 0.2633(11) 0.106(5) Uani 0.639(11) 1 d D U P B 3
H25A H 0.5234 0.1354 0.3074 0.159 Uiso 0.639(11) 1 calc GR . P B 3
H25B H 0.4345 0.0945 0.2892 0.159 Uiso 0.639(11) 1 calc GR . P B 3
H25C H 0.4289 0.1335 0.2150 0.159 Uiso 0.639(11) 1 calc GR . P B 3
C46A C 1.1196(14) 0.0244(7) -0.2692(7) 0.112(8) Uani 0.58(2) 1 d D U P A 1
H46A H 1.0501 0.0118 -0.2784 0.168 Uiso 0.58(2) 1 calc GR . P A 1
H46B H 1.1513 0.0036 -0.3008 0.168 Uiso 0.58(2) 1 calc GR . P A 1
H46C H 1.1141 0.0583 -0.2906 0.168 Uiso 0.58(2) 1 calc GR . P A 1
C45A C 1.2996(9) 0.0234(9) -0.1573(15) 0.116(7) Uani 0.58(2) 1 d D U P A 1
H45A H 1.3205 0.0567 -0.1668 0.174 Uiso 0.58(2) 1 calc GR . P A 1
H45B H 1.3119 0.0004 -0.1980 0.174 Uiso 0.58(2) 1 calc GR . P A 1
H45C H 1.3402 0.0131 -0.0974 0.174 Uiso 0.58(2) 1 calc GR . P A 1
Rh1 Rh 0.91437(3) 0.16937(2) 0.04843(3) 0.04203(18) Uani 1 1 d . . . . .
C46B C 1.211(3) 0.0471(10) -0.2451(17) 0.154(13) Uani 0.42(2) 1 d D U P A 2
H46D H 1.1506 0.0656 -0.2830 0.231 Uiso 0.42(2) 1 calc GR . P A 2
H46E H 1.2286 0.0215 -0.2789 0.231 Uiso 0.42(2) 1 calc GR . P A 2
H46F H 1.2703 0.0697 -0.2204 0.231 Uiso 0.42(2) 1 calc GR . P A 2
C45B C 1.2954(14) 0.0081(12) -0.1109(19) 0.151(14) Uani 0.42(2) 1 d D U P A 2
H45D H 1.3450 0.0341 -0.1096 0.226 Uiso 0.42(2) 1 calc GR . P A 2
H45E H 1.3149 -0.0227 -0.1315 0.226 Uiso 0.42(2) 1 calc GR . P A 2
H45F H 1.2960 0.0033 -0.0521 0.226 Uiso 0.42(2) 1 calc GR . P A 2
C44B C 1.1870(6) 0.0233(3) -0.1718(5) 0.088(3) Uani 0.42(2) 1 d D . P A 2
H44B H 1.1376 -0.0050 -0.1915 0.106 Uiso 0.42(2) 1 calc R . P A 2
C23A C 0.5375(9) 0.0782(5) 0.2291(9) 0.076(4) Uani 0.639(11) 1 d D U P B 3
H23A H 0.5860 0.0569 0.2759 0.091 Uiso 0.639(11) 1 calc R . P B 3
C23B C 0.491(2) 0.0916(8) 0.2079(12) 0.076(4) Uani 0.361(11) 1 d D U P B 4
H23B H 0.4247 0.1082 0.1724 0.091 Uiso 0.361(11) 1 calc R . P B 4
C24B C 0.494(3) 0.0373(8) 0.1906(18) 0.121(5) Uani 0.361(11) 1 d D U P B 4
H24D H 0.4825 0.0321 0.1293 0.181 Uiso 0.361(11) 1 calc GR . P B 4
H24E H 0.4384 0.0208 0.2036 0.181 Uiso 0.361(11) 1 calc GR . P B 4
H24F H 0.5610 0.0237 0.2275 0.181 Uiso 0.361(11) 1 calc GR . P B 4
C25B C 0.526(2) 0.1005(9) 0.3061(13) 0.106(5) Uani 0.361(11) 1 d D U P B 4
H25D H 0.5214 0.1357 0.3171 0.159 Uiso 0.361(11) 1 calc GR . P B 4
H25E H 0.5984 0.0895 0.3353 0.159 Uiso 0.361(11) 1 calc GR . P B 4
H25F H 0.4816 0.0818 0.3287 0.159 Uiso 0.361(11) 1 calc GR . P B 4


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P2 N3 1.617(5) . ?
P2 C4 1.773(6) . ?
P2 C26 1.798(6) . ?
P2 C32 1.815(5) . ?
P1 N2 1.617(5) . ?
P1 C1 1.770(6) . ?
P1 C11 1.805(5) . ?
P1 C5 1.807(6) . ?
N3 C38 1.427(7) . ?
N3 Rh1 2.162(5) . ?
N2 C17 1.430(7) . ?
N2 Rh1 2.178(5) . ?
N1 C1 1.352(7) . ?
N1 C4 1.374(7) . ?
N1 Rh1 2.004(5) . ?
C17 C18 1.393(8) . ?
C17 C22 1.385(8) . ?
C1 C2 1.396(8) . ?
C27 H27 0.9500 . ?
C27 C26 1.385(7) . ?
C27 C28 1.395(9) . ?
C4 C3 1.386(8) . ?
C11 C12 1.390(8) . ?
C11 C16 1.387(8) . ?
C26 C31 1.399(8) . ?
C36 H36 0.9500 . ?
C36 C35 1.385(9) . ?
C36 C37 1.358(8) . ?
C10 H10 0.9500 . ?
C10 C5 1.379(8) . ?
C10 C9 1.364(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.404(9) . ?
C30 C29 1.387(9) . ?
C13 H13 0.9500 . ?
C13 C12 1.384(7) . ?
C13 C14 1.389(8) . ?
C3 H3 0.9500 . ?
C3 C2 1.409(7) . ?
C34 H34 0.9500 . ?
C34 C33 1.390(7) . ?
C34 C35 1.364(9) . ?
C12 H12 0.9500 . ?
C31 H31 0.9500 . ?
C39 H39 0.9500 . ?
C39 C38 1.398(8) . ?
C39 C40 1.398(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.407(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.383(9) . ?
C8 C7 1.367(9) . ?
C48 H48 1.0000 . ?
C48 C47 1.390(7) . ?
C48 C49 1.491(8) . ?
C48 Rh1 2.117(6) . ?
C5 C6 1.404(7) . ?
C16 H16 0.9500 . ?
C16 C15 1.407(7) . ?
C47 H47 1.0000 . ?
C47 C55 1.492(7) . ?
C47 Rh1 2.111(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.379(8) . ?
C9 H9 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.379(9) . ?
C6 H6 0.9500 . ?
C6 C7 1.397(8) . ?
C32 C33 1.398(8) . ?
C32 C37 1.417(8) . ?
C55 C56 1.384(8) . ?
C55 C60 1.375(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.398(8) . ?
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
C14 H14 0.9500 . ?
C2 H2 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.372(9) . ?
C60 H60 0.9500 . ?
C60 C59 1.406(9) . ?
C51 H51 0.9500 . ?
C51 C50 1.424(9) . ?
C51 C52 1.380(10) . ?
C53 H53 0.9500 . ?
C53 C52 1.378(9) . ?
C53 C54 1.385(8) . ?
C37 H37 0.9500 . ?
C49 C50 1.410(8) . ?
C49 C54 1.392(9) . ?
C50 H50 0.9500 . ?
C44A H44A 1.0000 . ?
C44A C41 1.549(10) . ?
C44A C46A 1.533(9) . ?
C44A C45A 1.491(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.382(8) . ?
C42 C41 1.409(9) . ?
C43 H43 0.9500 . ?
C43 C38 1.389(7) . ?
C41 C40 1.351(10) . ?
C58 H58 0.9500 . ?
C58 C57 1.352(10) . ?
C58 C59 1.367(10) . ?
C7 H7 0.9500 . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?
C52 H52 0.9500 . ?
C40 H40 0.9500 . ?
C28 H28 0.9500 . ?
C54 H54 0.9500 . ?
C20 C19 1.382(10) . ?
C20 C21 1.389(9) . ?
C20 C23A 1.532(15) . ?
C20 C23B 1.69(3) . ?
C19 H19 0.9500 . ?
C21 H21 0.9500 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C24A C23A 1.514(9) . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C25A C23A 1.535(9) . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C23A H23A 1.0000 . ?
C23B H23B 1.0000 . ?
C23B C24B 1.502(10) . ?
C23B C25B 1.534(10) . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 P2 C4 103.5(3) . . ?
N3 P2 C26 116.2(3) . . ?
N3 P2 C32 115.6(3) . . ?
C4 P2 C26 108.6(3) . . ?
C4 P2 C32 106.3(3) . . ?
C26 P2 C32 106.1(3) . . ?
N2 P1 C1 104.3(3) . . ?
N2 P1 C11 115.0(3) . . ?
N2 P1 C5 114.6(3) . . ?
C1 P1 C11 107.0(3) . . ?
C1 P1 C5 108.5(3) . . ?
C11 P1 C5 106.9(3) . . ?
P2 N3 Rh1 112.1(3) . . ?
C38 N3 P2 118.9(4) . . ?
C38 N3 Rh1 128.7(4) . . ?
P1 N2 Rh1 112.7(3) . . ?
C17 N2 P1 116.2(4) . . ?
C17 N2 Rh1 130.9(4) . . ?
C1 N1 C4 107.3(5) . . ?
C1 N1 Rh1 126.7(4) . . ?
C4 N1 Rh1 125.9(4) . . ?
C18 C17 N2 122.6(6) . . ?
C22 C17 N2 120.3(5) . . ?
C22 C17 C18 117.1(6) . . ?
N1 C1 P1 110.7(5) . . ?
N1 C1 C2 110.2(5) . . ?
C2 C1 P1 139.1(5) . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.4(6) . . ?
C28 C27 H27 119.8 . . ?
N1 C4 P2 109.5(5) . . ?
N1 C4 C3 109.7(5) . . ?
C3 C4 P2 140.5(5) . . ?
C12 C11 P1 122.3(4) . . ?
C16 C11 P1 118.2(5) . . ?
C16 C11 C12 119.1(5) . . ?
C27 C26 P2 122.6(5) . . ?
C27 C26 C31 119.1(6) . . ?
C31 C26 P2 118.3(5) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C37 C36 C35 120.8(7) . . ?
C5 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C5 121.1(6) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C29 C30 C31 118.9(7) . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(6) . . ?
C14 C13 H13 120.0 . . ?
C4 C3 H3 126.7 . . ?
C4 C3 C2 106.7(6) . . ?
C2 C3 H3 126.7 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C35 C34 C33 120.6(7) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.7(6) . . ?
C13 C12 H12 119.7 . . ?
C26 C31 C30 120.5(6) . . ?
C26 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C40 C39 C38 119.9(6) . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.7(7) . . ?
C19 C18 H18 120.2 . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C7 C8 C9 118.6(6) . . ?
C47 C48 H48 113.0 . . ?
C47 C48 C49 124.2(6) . . ?
C47 C48 Rh1 70.6(4) . . ?
C49 C48 H48 113.0 . . ?
C49 C48 Rh1 116.3(4) . . ?
Rh1 C48 H48 113.0 . . ?
C10 C5 P1 123.2(5) . . ?
C10 C5 C6 117.9(6) . . ?
C6 C5 P1 118.8(5) . . ?
C11 C16 H16 119.7 . . ?
C11 C16 C15 120.5(6) . . ?
C15 C16 H16 119.7 . . ?
C48 C47 H47 113.0 . . ?
C48 C47 C55 125.5(6) . . ?
C48 C47 Rh1 71.0(4) . . ?
C55 C47 H47 113.0 . . ?
C55 C47 Rh1 114.3(4) . . ?
Rh1 C47 H47 113.0 . . ?
C16 C15 H15 120.3 . . ?
C14 C15 C16 119.4(6) . . ?
C14 C15 H15 120.3 . . ?
C10 C9 C8 121.6(7) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C17 C22 H22 118.7 . . ?
C21 C22 C17 122.5(6) . . ?
C21 C22 H22 118.7 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.1(6) . . ?
C7 C6 H6 119.9 . . ?
C33 C32 P2 119.9(5) . . ?
C33 C32 C37 118.8(5) . . ?
C37 C32 P2 120.7(5) . . ?
C56 C55 C47 119.4(6) . . ?
C60 C55 C47 123.1(6) . . ?
C60 C55 C56 117.5(6) . . ?
C55 C56 H56 118.9 . . ?
C55 C56 C57 122.3(7) . . ?
C57 C56 H56 118.9 . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C36 C35 H35 119.9 . . ?
C34 C35 C36 120.2(6) . . ?
C34 C35 H35 119.9 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.3(6) . . ?
C15 C14 H14 119.9 . . ?
C1 C2 C3 106.2(6) . . ?
C1 C2 H2 126.9 . . ?
C3 C2 H2 126.9 . . ?
C30 C29 H29 119.5 . . ?
C28 C29 C30 120.9(7) . . ?
C28 C29 H29 119.5 . . ?
C55 C60 H60 120.0 . . ?
C55 C60 C59 120.0(7) . . ?
C59 C60 H60 120.0 . . ?
C50 C51 H51 119.7 . . ?
C52 C51 H51 119.7 . . ?
C52 C51 C50 120.5(7) . . ?
C52 C53 H53 119.2 . . ?
C52 C53 C54 121.6(7) . . ?
C54 C53 H53 119.2 . . ?
C36 C37 C32 119.9(7) . . ?
C36 C37 H37 120.0 . . ?
C32 C37 H37 120.0 . . ?
C50 C49 C48 118.5(6) . . ?
C54 C49 C48 124.0(6) . . ?
C54 C49 C50 117.5(6) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 C51 120.2(7) . . ?
C49 C50 H50 119.9 . . ?
C41 C44A H44A 105.9 . . ?
C46A C44A H44A 105.9 . . ?
C46A C44A C41 111.9(8) . . ?
C45A C44A H44A 105.9 . . ?
C45A C44A C41 115.5(10) . . ?
C45A C44A C46A 111.0(11) . . ?
C43 C42 H42 119.4 . . ?
C43 C42 C41 121.2(7) . . ?
C41 C42 H42 119.4 . . ?
C42 C43 H43 119.0 . . ?
C42 C43 C38 122.0(6) . . ?
C38 C43 H43 119.0 . . ?
C42 C41 C44A 121.0(7) . . ?
C40 C41 C44A 122.8(8) . . ?
C40 C41 C42 116.2(7) . . ?
C57 C58 H58 120.1 . . ?
C57 C58 C59 119.7(7) . . ?
C59 C58 H58 120.1 . . ?
C8 C7 C6 120.7(6) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C56 C57 H57 120.3 . . ?
C58 C57 C56 119.4(7) . . ?
C58 C57 H57 120.3 . . ?
C39 C38 N3 123.4(5) . . ?
C43 C38 N3 119.8(5) . . ?
C43 C38 C39 116.7(6) . . ?
C60 C59 H59 119.4 . . ?
C58 C59 C60 121.1(7) . . ?
C58 C59 H59 119.4 . . ?
C51 C52 H52 120.6 . . ?
C53 C52 C51 118.7(7) . . ?
C53 C52 H52 120.6 . . ?
C39 C40 H40 118.1 . . ?
C41 C40 C39 123.8(7) . . ?
C41 C40 H40 118.1 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.1(6) . . ?
C29 C28 H28 119.9 . . ?
C53 C54 C49 121.4(6) . . ?
C53 C54 H54 119.3 . . ?
C49 C54 H54 119.3 . . ?
C19 C20 C21 116.1(8) . . ?
C19 C20 C23A 128.7(9) . . ?
C19 C20 C23B 105.6(10) . . ?
C21 C20 C23A 115.2(8) . . ?
C21 C20 C23B 137.6(10) . . ?
C18 C19 H19 118.5 . . ?
C20 C19 C18 123.1(7) . . ?
C20 C19 H19 118.5 . . ?
C22 C21 C20 121.6(7) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C23A C25A H25A 109.5 . . ?
C23A C25A H25B 109.5 . . ?
C23A C25A H25C 109.5 . . ?
C44A C46A H46A 109.5 . . ?
C44A C46A H46B 109.5 . . ?
C44A C46A H46C 109.5 . . ?
H46A C46A H46B 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C44A C45A H45A 109.5 . . ?
C44A C45A H45B 109.5 . . ?
C44A C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
N3 Rh1 N2 160.5(2) . . ?
N1 Rh1 N3 80.42(19) . . ?
N1 Rh1 N2 80.09(19) . . ?
N1 Rh1 C48 160.83(19) . . ?
N1 Rh1 C47 160.75(18) . . ?
C48 Rh1 N3 104.7(2) . . ?
C48 Rh1 N2 93.6(2) . . ?
C47 Rh1 N3 95.1(2) . . ?
C47 Rh1 N2 103.6(2) . . ?
C47 Rh1 C48 38.4(2) . . ?
H46D C46B H46E 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
C20 C23A C25A 105.9(11) . . ?
C20 C23A H23A 112.5 . . ?
C24A C23A C20 107.3(12) . . ?
C24A C23A C25A 105.6(10) . . ?
C24A C23A H23A 112.5 . . ?
C25A C23A H23A 112.5 . . ?
C20 C23B H23B 114.1 . . ?
C24B C23B C20 100(2) . . ?
C24B C23B H23B 114.1 . . ?
C24B C23B C25B 109.6(13) . . ?
C25B C23B C20 103.2(18) . . ?
C25B C23B H23B 114.1 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23B C25B H25D 109.5 . . ?
C23B C25B H25E 109.5 . . ?
C23B C25B H25F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 N3 C38 C39 48.1(8) . . . . ?
P2 N3 C38 C43 -130.3(5) . . . . ?
P2 C4 C3 C2 -173.1(5) . . . . ?
P2 C26 C31 C30 -179.5(5) . . . . ?
P2 C32 C33 C34 -172.6(5) . . . . ?
P2 C32 C37 C36 172.7(5) . . . . ?
P1 N2 C17 C18 56.4(7) . . . . ?
P1 N2 C17 C22 -123.3(6) . . . . ?
P1 C1 C2 C3 -177.3(5) . . . . ?
P1 C11 C12 C13 172.6(5) . . . . ?
P1 C11 C16 C15 -172.7(4) . . . . ?
P1 C5 C6 C7 -177.0(5) . . . . ?
N3 P2 C4 N1 24.2(4) . . . . ?
N3 P2 C4 C3 -163.2(6) . . . . ?
N3 P2 C26 C27 -101.7(5) . . . . ?
N3 P2 C26 C31 76.5(6) . . . . ?
N3 P2 C32 C33 -6.2(6) . . . . ?
N3 P2 C32 C37 -177.1(5) . . . . ?
N2 P1 C1 N1 16.0(4) . . . . ?
N2 P1 C1 C2 -167.5(6) . . . . ?
N2 P1 C11 C12 162.3(5) . . . . ?
N2 P1 C11 C16 -25.5(6) . . . . ?
N2 P1 C5 C10 -85.8(6) . . . . ?
N2 P1 C5 C6 91.9(5) . . . . ?
N2 C17 C18 C19 -179.2(6) . . . . ?
N2 C17 C22 C21 -179.8(6) . . . . ?
N1 C1 C2 C3 -0.8(6) . . . . ?
N1 C4 C3 C2 -0.5(6) . . . . ?
C17 C18 C19 C20 -1.1(12) . . . . ?
C17 C22 C21 C20 -1.0(11) . . . . ?
C1 P1 N2 C17 159.6(4) . . . . ?
C1 P1 N2 Rh1 -24.1(3) . . . . ?
C1 P1 C11 C12 -82.3(5) . . . . ?
C1 P1 C11 C16 89.9(5) . . . . ?
C1 P1 C5 C10 158.0(5) . . . . ?
C1 P1 C5 C6 -24.2(6) . . . . ?
C1 N1 C4 P2 175.0(3) . . . . ?
C1 N1 C4 C3 0.0(6) . . . . ?
C27 C26 C31 C30 -1.3(10) . . . . ?
C4 P2 N3 C38 155.1(4) . . . . ?
C4 P2 N3 Rh1 -30.6(3) . . . . ?
C4 P2 C26 C27 142.1(5) . . . . ?
C4 P2 C26 C31 -39.7(6) . . . . ?
C4 P2 C32 C33 108.0(5) . . . . ?
C4 P2 C32 C37 -62.9(6) . . . . ?
C4 N1 C1 P1 178.1(3) . . . . ?
C4 N1 C1 C2 0.5(6) . . . . ?
C4 C3 C2 C1 0.8(6) . . . . ?
C11 P1 N2 C17 -83.4(4) . . . . ?
C11 P1 N2 Rh1 92.8(3) . . . . ?
C11 P1 C1 N1 -106.3(4) . . . . ?
C11 P1 C1 C2 70.2(7) . . . . ?
C11 P1 C5 C10 42.9(6) . . . . ?
C11 P1 C5 C6 -139.4(5) . . . . ?
C11 C16 C15 C14 -0.6(9) . . . . ?
C26 P2 N3 C38 36.2(5) . . . . ?
C26 P2 N3 Rh1 -149.6(2) . . . . ?
C26 P2 C4 N1 148.2(3) . . . . ?
C26 P2 C4 C3 -39.2(7) . . . . ?
C26 P2 C32 C33 -136.5(5) . . . . ?
C26 P2 C32 C37 52.6(6) . . . . ?
C26 C27 C28 C29 -0.7(11) . . . . ?
C10 C5 C6 C7 0.9(9) . . . . ?
C30 C29 C28 C27 -0.1(12) . . . . ?
C12 C11 C16 C15 -0.2(9) . . . . ?
C12 C13 C14 C15 -0.9(10) . . . . ?
C31 C30 C29 C28 0.2(11) . . . . ?
C18 C17 C22 C21 0.5(10) . . . . ?
C48 C47 C55 C56 173.8(6) . . . . ?
C48 C47 C55 C60 -8.1(11) . . . . ?
C48 C49 C50 C51 179.9(6) . . . . ?
C48 C49 C54 C53 179.5(6) . . . . ?
C5 P1 N2 C17 41.1(4) . . . . ?
C5 P1 N2 Rh1 -142.7(2) . . . . ?
C5 P1 C1 N1 138.6(4) . . . . ?
C5 P1 C1 C2 -44.9(7) . . . . ?
C5 P1 C11 C12 33.8(6) . . . . ?
C5 P1 C11 C16 -153.9(5) . . . . ?
C5 C10 C9 C8 2.0(12) . . . . ?
C5 C6 C7 C8 -0.3(10) . . . . ?
C16 C11 C12 C13 0.4(9) . . . . ?
C16 C15 C14 C13 1.1(9) . . . . ?
C47 C48 C49 C50 175.7(6) . . . . ?
C47 C48 C49 C54 -4.4(11) . . . . ?
C47 C55 C56 C57 -179.4(6) . . . . ?
C47 C55 C60 C59 -179.3(7) . . . . ?
C9 C10 C5 P1 176.0(6) . . . . ?
C9 C10 C5 C6 -1.7(10) . . . . ?
C9 C8 C7 C6 0.5(11) . . . . ?
C22 C17 C18 C19 0.5(10) . . . . ?
C32 P2 N3 C38 -89.0(4) . . . . ?
C32 P2 N3 Rh1 85.2(3) . . . . ?
C32 P2 C4 N1 -98.0(4) . . . . ?
C32 P2 C4 C3 74.6(7) . . . . ?
C32 P2 C26 C27 28.2(6) . . . . ?
C32 P2 C26 C31 -153.6(5) . . . . ?
C55 C56 C57 C58 -2.0(11) . . . . ?
C55 C60 C59 C58 -0.3(12) . . . . ?
C56 C55 C60 C59 -1.2(11) . . . . ?
C33 C34 C35 C36 -1.9(10) . . . . ?
C33 C32 C37 C36 1.7(9) . . . . ?
C35 C36 C37 C32 -2.0(10) . . . . ?
C35 C34 C33 C32 1.6(9) . . . . ?
C14 C13 C12 C11 0.1(9) . . . . ?
C29 C30 C31 C26 0.5(11) . . . . ?
C60 C55 C56 C57 2.3(11) . . . . ?
C37 C36 C35 C34 2.1(10) . . . . ?
C37 C32 C33 C34 -1.5(9) . . . . ?
C49 C48 C47 C55 144.0(7) . . . . ?
C49 C48 C47 Rh1 -109.2(6) . . . . ?
C50 C51 C52 C53 0.4(13) . . . . ?
C50 C49 C54 C53 -0.5(11) . . . . ?
C44A C41 C40 C39 -179.1(7) . . . . ?
C42 C43 C38 N3 -176.6(6) . . . . ?
C42 C43 C38 C39 4.9(10) . . . . ?
C42 C41 C40 C39 2.5(12) . . . . ?
C43 C42 C41 C44A -177.7(7) . . . . ?
C43 C42 C41 C40 0.7(11) . . . . ?
C41 C42 C43 C38 -4.6(11) . . . . ?
C7 C8 C9 C10 -1.4(11) . . . . ?
C57 C58 C59 C60 0.7(13) . . . . ?
C38 C39 C40 C41 -2.0(13) . . . . ?
C59 C58 C57 C56 0.5(12) . . . . ?
C52 C51 C50 C49 0.1(12) . . . . ?
C52 C53 C54 C49 1.1(12) . . . . ?
C40 C39 C38 N3 179.8(6) . . . . ?
C40 C39 C38 C43 -1.8(10) . . . . ?
C28 C27 C26 P2 179.6(5) . . . . ?
C28 C27 C26 C31 1.4(10) . . . . ?
C54 C53 C52 C51 -1.1(12) . . . . ?
C54 C49 C50 C51 -0.1(11) . . . . ?
C19 C20 C21 C22 0.4(12) . . . . ?
C19 C20 C23A C24A 43.3(14) . . . . ?
C19 C20 C23A C25A -69.1(13) . . . . ?
C19 C20 C23B C24B 110.6(14) . . . . ?
C19 C20 C23B C25B -136.3(14) . . . . ?
C21 C20 C19 C18 0.6(12) . . . . ?
C21 C20 C23A C24A -135.1(10) . . . . ?
C21 C20 C23A C25A 112.5(11) . . . . ?
C21 C20 C23B C24B -80.4(19) . . . . ?
C21 C20 C23B C25B 33(2) . . . . ?
C46A C44A C41 C42 20.2(14) . . . . ?
C46A C44A C41 C40 -158.2(12) . . . . ?
C45A C44A C41 C42 148.4(13) . . . . ?
C45A C44A C41 C40 -29.9(17) . . . . ?
Rh1 N3 C38 C39 -125.1(6) . . . . ?
Rh1 N3 C38 C43 56.5(7) . . . . ?
Rh1 N2 C17 C18 -119.0(6) . . . . ?
Rh1 N2 C17 C22 61.3(7) . . . . ?
Rh1 N1 C1 P1 0.2(5) . . . . ?
Rh1 N1 C1 C2 -177.3(3) . . . . ?
Rh1 N1 C4 P2 -7.2(5) . . . . ?
Rh1 N1 C4 C3 177.8(3) . . . . ?
Rh1 C48 C47 C55 -106.8(6) . . . . ?
Rh1 C48 C49 C50 92.2(7) . . . . ?
Rh1 C48 C49 C54 -87.9(7) . . . . ?
Rh1 C47 C55 C56 90.4(7) . . . . ?
Rh1 C47 C55 C60 -91.4(7) . . . . ?
C23A C20 C19 C18 -177.7(8) . . . . ?
C23A C20 C21 C22 179.0(7) . . . . ?
C23A C20 C23B C24B -50.7(19) . . . . ?
C23A C20 C23B C25B 62.4(18) . . . . ?
C23B C20 C19 C18 172.4(9) . . . . ?
C23B C20 C21 C22 -167.8(13) . . . . ?
C23B C20 C23A C24A 67(2) . . . . ?
C23B C20 C23A C25A -45.8(18) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.261 0.000 0.500 626.5 144.4 ?
2 -0.014 0.285 0.706 8.1 0.0 ?
3 -0.589 0.500 0.000 626.5 144.4 ?
4 0.014 0.715 0.294 8.1 0.0 ?
5 0.486 0.215 0.206 8.1 0.0 ?
6 0.514 0.785 0.794 8.1 0.0 ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
